Mrv0541 02231216492D          

  7  7  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03255

> <DATABASE_NAME>
drugbank

> <SMILES>
OC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

> <INCHI_KEY>
ISWSIDIOOBJBQZ-UHFFFAOYSA-N

> <FORMULA>
C6H6O

> <MOLECULAR_WEIGHT>
94.1112

> <EXACT_MASS>
94.041864814

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.0009625681435090835

> <JCHEM_AVERAGE_POLARIZABILITY>
9.812560861971921

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phenol

> <ALOGPS_LOGP>
1.39

> <JCHEM_LOGP>
1.6696804943333332

> <ALOGPS_LOGS>
-0.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.016150276173818

> <JCHEM_PKA_STRONGEST_BASIC>
-5.476712177992347

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
28.038899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.66e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03255

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01917

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Phenol

> <SYNONYMS>
Acide carbolique; Acide phénique; Benzenol; Carbolic acid; Carbolsäure; Fenol; Hydroxybenzene; Karbolsäure; Monohydroxybenzene; Oxybenzene; Phenic Acid; Phenol; Phenyl alcohol; Phenyl hydroxide; Phenylic acid; Phenylic alcohol; PHOH

> <PRODUCTS>
ABC Sore Throat Menthol Flavor; ABSORBINE jr.; Abridge Cold Sore Treatment; Absorbine Jr Pro Cream; Absorbine Jr Pro No Mess Roll-on Plus; Ambix First Aid; Anbesol Gel; Anbesol Liquid; Anbesol Maximum Strength Liquid; Aseptil Rojo; Au Kah Chuen Skin Lotion; Balzarol Ont; Banana Boat Medicated Lip Balm; Bite Relief; Bite and Sting Relief Stick; BiteMD External Analgesic First Aid Antiseptic; Blistex Complete Care (Blistex Lip Medex, Blistex Medicated Lip, Blistex Five Star Lip Protection Broad Spectrum, and Blistex Complete Moisture); Blistex Dct; Blistex Lip; Blistex Lip Medex; Blistex Medicated; Blistex Medicated Lip Balm Variety Pack (Blistex Medicated Berry Lip Balm, Blistex Medicated Lip Balm, Blistex Medicated Lip); Blistex Medicated Variety Pack (Blistex Medicated Berry Lip Balm, Blistex Medicated Lip Balm, Blistex Medicated Lip); Blistex con Medicacion Crema Labial; Boil Ease Drawing Salve Ont; Budpak First Aid; CAMPHO-PHENIQUE ANTISEPTIC Gel; CAMPHOR (SYNTHETIC) and PHENOL; CVS Camphor Phenol Gel; CVS Health Maximum Strength Sore Throat Fast Relief; CVS Health Sore Throat Fast Relief Oral Anesthetic; Calamine Phenolated Topical Suspension; Campho Phenique Cold Sore Treatment; Campho-Phenique Antiseptic; Campho-Phenique Cold Sore Treatment; Campho-Phenique Pain Relieving Antiseptic Liquid; Care One Sore Throat; CareOne Cold Sore Treatment; Carmex Lip Balm; Carmex Lip Ointment; Castellani Paint; Castellani Paint 1.5%; Cepastat Cherry; Cepastat Extra Strength; ChapIce Camphor Phenol Gel; Chapstick Medicated; Chapstick Medicated Lip Balm - Jar; Chapstick Medicated Lip Balm - Stk; Chapstick Medicated Lip Balm - Tube; ChigaRid; Chigarid; Chloraseptic Sore Throat; Chloraseptic Sore Throat (Kids Grape) Grape; Chloraseptic Sore Throat Cherry; Chloraseptic Sore Throat Citrus; Chloraseptic Sore Throat Max; Chloraseptic Sore Throat Menthol; Chloraseptic Warming Sore Throat; Coghlan s Sting Relief; Cold Sore Treatment; DDM Instant Antiseptic Pain Relief; DRx Choice Sore Throat Menthol Flavor; Dermagesic; Dermaphy Ont; Dg Health Sore Throat; Diluent Sterile; Diluent for Allergenic Extract Sterile Normal Saline With Phenol (0.4%); Equaline Sore Throat; Equate Sore Throat; Exchange Select Cold Sore Treatment; First Aid; Fortinia ID; Freds Antiseptic Instant Pain Relief; Glycerinated Phenol Saline; Good Neighbor Pharmacy Sore Throat; Good Neighbor Sore Throat Cherry Flavor; Good Sense Sore Throat; HEB Camphor Phenol; HEB Sore Throat Cherry Flavor; HEB Sore Throat Menthol Flavor; Healthy Accents Sore Throat; Instant Antiseptic Pain Relief; Kank-A with Blistex Medicated Lip; Labisan; Labisan Cold Sore; Leader Camphor Phenol Gel; Leader Sore Throat; Leader Sore throat; Lip Conditioner Lip Balm; Liver supplement; MAKESENSE First Aid; Major Camphor and Phenol; Maximum Strength Cold Sore Treatment; Mecca Ointment; Medicated Blistex Dct Lip Balm; Medicated Lip Balm; Medicated Lipbalm; Meijer Sore Throat; NICE SORE THROAT Cherry; NICE SORE THROAT Honey Lemon; NICE SORE THROAT Spearmint; Natur 911; OFF Bite and Itch Relief First Aid Antiseptic; Oral Relief; Ozonol Ont; PUBLIX Sore Throat Fast Relief Oral Anesthetic; PUBLIX Sore Throat Menthol Flavor; Pain A Lay; Pain Relieving Petro Carbo; Phen-oris - Ont Top; Phenaseptic Cherry; Phenol; Phenol 6%; Phenol Saline Inj; Phenoris Ont; Phylorinol; Poison Oak; Poison Oak and Ivy; Preferred Plus Medicated Lip Balm; Premier Value Instant Antiseptic Pain Relief; Rugby Cherry Flavor; Rx Act Sore Throat; Shopko Camphor Phenol Gel; Signature Care Maximum Strength Cold Sore Treatment; Smart Sense Sore Throat; Sore Throat; Sore Throat Cherry; Sore Throat Menthol; Sore Throat ReadyInCase; Sore Throat Relief; Sore Throat Relief Cherry; Sore Throat Relief Cherry Flavor; Sore Throat Relief Menthol; Sore throat cherry; Sterile Diluent for Allergenic Extract; Sting Eze; Sting Kure - Liq; Sting-eze-liq; StingEze Insect Bite Relief; StingEze Max Insect Bite Relief; Sunmark Phenolated Calamine; Sunmark Sore Throat; Sunmark sore throat; Throat Relief; TopCare Cherry Flavor; Topcare Cold Sore Treatment; Topcare Sore Throat; Topcare Sore Throat Menthol Flavor; Ulcerease; Vaseline Brand Lip Therapy Medicated Tube; Vicks Formula 44 Sore Throat; Vida Mia Instant Antiseptic Pain Relief; Vortex Moisturizer Oral; Walgreens Camphor Phenol Gel; Walgreens Sore Throat Cherry Flavor; Wild Horse 777 Oral; Yat Tip Xiao; ZYCAZIN Antiseptic Liquid; eos Medicated Pain Relieving Lip Balm; meijer Maximum Strength Sore Throat Fast Relief

$$$$