Mrv1652309131706142D          

 10 10  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
    1.4289    0.0000    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
    1.4289    0.8250    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    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   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
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11304

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCOC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

> <INCHI_KEY>
QCDWFXQBSFUVSP-UHFFFAOYSA-N

> <FORMULA>
C8H10O2

> <MOLECULAR_WEIGHT>
138.166

> <EXACT_MASS>
138.068079562

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.913745490860894

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-phenoxyethan-1-ol

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
1.1254725383333333

> <ALOGPS_LOGS>
-0.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.102173105114254

> <JCHEM_PKA_STRONGEST_BASIC>
-2.754109483823025

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
38.8135

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.41e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenoxyethanol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11304

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Phenoxyethanol

> <SYNONYMS>
1-Hydroxy-2-phenoxyethane; 2-Hydroxyethyl phenyl ether; 2-phenoxyethanol; 2-Phenoxyethyl alcohol; beta-Hydroxyethyl phenyl ether; Ethylene glycol monophenyl ether; Phenoxytol; Phenyl cellosolve; Phenylmonoglycol ether

> <PRODUCTS>
75% Alcohol Wipes; Acropole Bleu; Aiweier Alcohol Wipes; Aiweier Disinfecttant Wipes; Alcohol Wipes; Alcohol disinfectant wipes; Alcohol wipes; Antibacterial wipes; AnubisMed; Cosmos Hv; Cpap Wipes; DISINFECT Wet WIPES; Disinfect Wipes; Disinfectant Cleaning Wipes; Disinfectant Wet Wipes; Disinfecting Alcohol Wipes; Disinfecting Wipes; Disinfection Wet Wipes; Edens Hand Sanitizing Wipes; Grime Eater Lotion Soap 2.5%; HPY Instant Hand Sanitizer; Hand Sanitizer; Hand Sanitizer Smells Clean; HydroGold 9; Lanohex Nettoyeur Pour LA Peau 1.7%; Lanohex Shp 1.7%; Manugel 85; Marcorodex; Micro; Purgerm 75% alcohol wipes; Puricia Sanitizing Wipes ( Blossom); Puricia Sanitizing Wipes (Citrus); Puricia Sanitizing Wipes (Lavender); Puricia Sanitizing Wipes (Mint); SUNHEAL Milia Spot Treatment; Sanitary alcohol disinfectant wipes; Sanitize/Disinfect Wipes; Vaxol Puri; Wet Wipes

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