NDH
  Mrv0541 02241213582D          

 14 15  0  0  0  0            999 V2000
   -0.4602    1.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4602    0.6282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1747    0.2157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8891    0.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1747   -0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4602   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543   -0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    0.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6832   -0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6832    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353    0.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3744    0.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  1  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3 14  1  1  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08264

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@]1(O)C=CC2=C(C=CC=C2)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1

> <INCHI_KEY>
QPUHWUSUBHNZCG-VHSXEESVSA-N

> <FORMULA>
C10H10O2

> <MOLECULAR_WEIGHT>
162.1852

> <EXACT_MASS>
162.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-6.490941512827822e-07

> <JCHEM_AVERAGE_POLARIZABILITY>
16.88856925105043

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

> <ALOGPS_LOGP>
0.63

> <JCHEM_LOGP>
0.9964711513333333

> <ALOGPS_LOGS>
-0.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.72139267788548

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.200535653234658

> <JCHEM_PKA_STRONGEST_BASIC>
-3.368156516883652

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
47.37980000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.25e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08264

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene

$$$$