Mrv1652309151712052D          

  8  8  0  0  0  0            999 V2000
   -0.7145   -0.4125    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    0.8250    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   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   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
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  2  1  2  0  0  0  0
  7  5  2  0  0  0  0
  4  7  1  0  0  0  0
  3  4  2  0  0  0  0
  2  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11085

> <DATABASE_NAME>
drugbank

> <SMILES>
OC1=CC(O)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

> <INCHI_KEY>
GHMLBKRAJCXXBS-UHFFFAOYSA-N

> <FORMULA>
C6H6O2

> <MOLECULAR_WEIGHT>
110.1106

> <EXACT_MASS>
110.036779436

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
10.74786583441956

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
benzene-1,3-diol

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
1.3661151726666665

> <ALOGPS_LOGS>
-0.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.725686553960157

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.26428499493661

> <JCHEM_PKA_STRONGEST_BASIC>
-5.663505847935281

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
30.019799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.23e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
resorcinol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11085

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Resorcinol

> <SYNONYMS>
1,3-Benzenediol; 1,3-Dihydroxybenzene; 1,3-Dihydroxybenzol; m-Hydroquinone; m-hydroxyphenol; Resorcinol; Resorzin

> <PRODUCTS>
Acne Aid Gel; Acne Drying Topical; Acne Treatment maximum strength CVS; Acnomel Skin Tone Cream; Acnotex acne Treatment; Adult Acnomel; Adult Acnomel Tinted; Anti Itch; Anti-Itch Medicated Maximum Strength; Anti-Itch Regular Strength; Assured Feminine Anti-itch; BENZOCAINE and RESORCINOL; Basic Care Vagicaine; Benzal Vagisil Creme Regular Strength; Budpak Feminine Anti-Itch; Clarifying Mask; Clearasil Daily Clear Adult Tinted Acne Treatment; Clearasil Daily Clear Tinted Adult Treatment; Clearasil Skin Tone Acne Crm Medication; Clearasil Vanishing Acne Crm Medication; Clearskin 2 Tinted Blemish Crm; Cvs Acne Treatment; DG Health Feminine Anti-itch; Eau Resolutive Soker; Equaline Vagicaine Maximum Strength; Equate vagicaine maximum strength; Family Wellness; Feminine Anti-Itch Creme; Glytone Acne Spot Treatment; Glytone acne; Glytone acne treatment flesh tinted acne; Good Neighbor Pharmacy Vagicaine; Good Sense Vagicaine Anti Itch; Hemo-pic; Image Essentials Vagicaine; Jon Ares Acne Control Mild; Leader Anti-Itch Maximum Strength; Leader Anti-Itch Regular Strength; Leader Maximum Strength Anti-Itch; Leader Regular Strength Anti-Itch; Maximum Strength Feminine Anti-Itch Family Wellness; Mazon Medicated Cream; Meijer Maximum Strength Vagicaine; Mirakel; Mirakel Pain and Itch Relief; OptimV Anti-Itch Maximum Strength; Quality Choice Vaginal Anti-Itch Maximum Strength; Resinol; Rexall Feminine Maximum Strength Anti-itch; Rezamid; Rite Aid Original Strength Vagicaine; Signature Care Vagicaine; Smart Sense Vagicaine Maximum Strength; Thunas Eczema Ont; Tinted Acne Treatment; Topcare Vagicaine; Up and up vagicaine; Utiliderm Acne Control; VAGISIL Anti-Itch Creme Regular Strength; VAGISIL Anti-Itch Medicated Creme Maximum Strength; VAGISIL Anti-Itch Medicated Creme Regular Strength; Vagi-cure (maximum Strength); Vagicaine; Vagicaine Maximum Strength; Vagicaine Maximum Strength Anti-Itch Cream; Vagicaine Medicated Maximum Strength; Vagisil Anti Itch Maximum Strength; Vagisil Anti Itch Original Strength; Well at Walgreens Anti-Itch Maximum Strength

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