BP7
  Mrv0541 02241213272D          

 14 15  0  0  0  0            999 V2000
   -0.2358   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358   -2.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503    1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503    1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB07478

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H

> <INCHI_KEY>
QDNPCYCBQFHNJC-UHFFFAOYSA-N

> <FORMULA>
C12H10O2

> <MOLECULAR_WEIGHT>
186.2066

> <EXACT_MASS>
186.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.006425062817668401

> <JCHEM_AVERAGE_POLARIZABILITY>
19.88725116752188

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[1,1'-biphenyl]-3,4-diol

> <ALOGPS_LOGP>
2.51

> <JCHEM_LOGP>
3.013340534666666

> <ALOGPS_LOGS>
-2.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.59349647960352

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.18963138575036

> <JCHEM_PKA_STRONGEST_BASIC>
-6.291372623333359

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
55.156000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB07478

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
3,4-Biphenyldiol

> <SYNONYMS>
4-Phenyl-1,2-benzenediol; 4-Phenylcatechol; 4-Phenylpyrocatechol; Biphenyl-3,4-diol

$$$$