5147
  Mrv0541 02241214202D          

 10 10  0  0  0  0            999 V2000
    2.0930   -0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.1880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
DB08797

> <DATABASE_NAME>
drugbank

> <SMILES>
NC(=O)C1=CC=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)

> <INCHI_KEY>
SKZKKFZAGNVIMN-UHFFFAOYSA-N

> <FORMULA>
C7H7NO2

> <MOLECULAR_WEIGHT>
137.136

> <EXACT_MASS>
137.047678473

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.05793587006626877

> <JCHEM_AVERAGE_POLARIZABILITY>
13.224969535328583

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-hydroxybenzamide

> <ALOGPS_LOGP>
0.74

> <JCHEM_LOGP>
1.1703207886666664

> <ALOGPS_LOGS>
-1.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.448510775136608

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.211132879966321

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9718542422260034

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
37.1173

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08797

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Salicylamide

> <SYNONYMS>
2-Carbamoylphenol; 2-Carboxamidophenol; 2-Hydroxybenzamide; o-hydroxybenzamide; OHB; Salicilamida; Salicylamide; Salicylamidum; Salicylic Acid amide

> <PRODUCTS>
4229 First Aid Kit; 4248 First Aid Kit; 4346 First Aid Kit; Aramark Pain Free; BE-FLEX Plus; Be Flex Plus; Crane Safety XS Pain Relief; Exaprin; Extra Strength Pain Reliever; Green Guard Pain and Ache Relief; Medi First Pain Relief; Medi First Plus Pain Zapper; Pain Free; Pain Reliever; Pain Stopper Extra; Pain Stoppers; Pain Stoppers Regular; Pain Terminator; Unishield Pain Zapper; Zee Pain Aid

$$$$