LZ2
  Mrv0541 02241213532D          

 15 16  0  0  0  0            999 V2000
   13.9116    1.2881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9116    2.1131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7366    2.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0866    2.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9116    2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9116    4.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6260    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405    4.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405    5.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0550    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0550    3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405    2.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6260    3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08132

> <DATABASE_NAME>
drugbank

> <SMILES>
NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H9NO3S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6,12H,(H2,11,13,14)

> <INCHI_KEY>
NFVBVKHGDDDCEA-UHFFFAOYSA-N

> <FORMULA>
C10H9NO3S

> <MOLECULAR_WEIGHT>
223.248

> <EXACT_MASS>
223.030313849

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.0056319124517305716

> <JCHEM_AVERAGE_POLARIZABILITY>
21.220272810135164

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-hydroxynaphthalene-1-sulfonamide

> <ALOGPS_LOGP>
1.25

> <JCHEM_LOGP>
1.2651880206666664

> <ALOGPS_LOGS>
-2.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.12040310573952

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.332896491299644

> <JCHEM_PKA_STRONGEST_BASIC>
-5.599963942308111

> <JCHEM_POLAR_SURFACE_AREA>
80.39

> <JCHEM_REFRACTIVITY>
56.64700000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08132

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
5-hydroxynaphthalene-1-sulfonamide

$$$$