936
  Mrv0541 02231215072D          

 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
    4.2365    1.1880    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
    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  1  0  0  0  0
  3 10  2  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
> <DRUGBANK_ID>
DB00936

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Salicyclic acid

> <SYNONYMS>
2-Carboxyphenol; 2-Hydroxybenzenecarboxylic acid; 2-Hydroxybenzoic acid; Acido salicilico; O-carboxyphenol; O-hydroxybenzoic acid; Orthohydroxybenzoic acid; Phenol-2-carboxylic acid; Salicylate; Salicylic acid

> <BRANDS>
Advanced pain relief callus removers; Advanced pain relief corn removers; Clear away wart remover; Compound W; Dr. Scholl's Callus Removers; Dr. Scholl's Corn Removers; Dr. Scholl's Wart Remover Kit; Duofil Wart Remover; Duoplant; Freezone; Ionil; Keralyt; Kyselina 2-hydroxybenzoova; Kyselina salicylova; Psoriacid-s-stift; Retarder SAX; Retarder W; Rutranex; Salicylic acid collodion; Salicylic acid soap; Saligel; Salonil; SAX; Stri-dex

> <CHEMICAL_FORMULA>
C7H6O3

> <MOLECULAR_WEIGHT>
138.1207

> <EXACT_MASS>
138.031694058

> <IUPAC_NAME>
2-hydroxybenzoic acid

> <INCHI_IDENTIFIER>
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

> <INCHI_KEY>
InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N

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

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_ACIDIC_PKA>
13.23

> <ALOGPS_LOGP>
1.96

> <JCHEM_LOGP>
1.98

> <ALOGPS_LOGS>
-1.1

> <JCHEM_POLARIZABILITY>
12.81

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
35.3

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <ALOGPS_SOLUBILITY>
1.13e+01 g/l

$$$$