Mrv1909 08061917372D          

  8  8  0  0  0  0            999 V2000
    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
    0.7144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14144

> <DATABASE_NAME>
drugbank

> <SMILES>
NC1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

> <INCHI_KEY>
PLIKAWJENQZMHA-UHFFFAOYSA-N

> <FORMULA>
C6H7NO

> <MOLECULAR_WEIGHT>
109.1259

> <EXACT_MASS>
109.052763851

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
11.228679945564583

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-aminophenol

> <ALOGPS_LOGP>
0.47

> <JCHEM_LOGP>
0.8407545403333332

> <ALOGPS_LOGS>
0.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.399947855076482

> <JCHEM_PKA_STRONGEST_BASIC>
5.427758069827587

> <JCHEM_POLAR_SURFACE_AREA>
46.25

> <JCHEM_REFRACTIVITY>
32.7393

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-6-imino-5-(2-phenyldiazen-1-yl)-1H-pyridin-3-ol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14144

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
p-Aminophenol

> <SYNONYMS>
4-Aminobenzenol; 4-Aminophenol; 4-Hydroxyaniline; p-hydroxyaniline

> <PRODUCTS>
Beautiful Womans Hair Loves Colorful Bubbles Hair Dye 5n Natural Brown; SALON CODE Glam Brown; SALON CODE Glam Cacao; SALON CODE Glam Hair Color Glam Brown; SALON CODE Glam Hair Color Glam Cacao; SALON CODE Glam Hair Color Glam Rose Gold; SALON CODE Glam Rose Gold

> <SALTS>
p-Aminophenol hydrochloride

$$$$