LZ4
  Mrv0541 02241213532D          

 18 19  0  0  0  0            999 V2000
   16.6667    7.1015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667    6.2765    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8417    6.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4917    6.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3812    5.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3812    4.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667    3.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667    2.9765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2377    1.3265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5233    1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5233    2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8088    2.9765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2377    2.9765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    4.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    5.0390    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 18  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 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
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08134

> <DATABASE_NAME>
drugbank

> <SMILES>
NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)

> <INCHI_KEY>
RSNSGNZRUMHXAY-UHFFFAOYSA-N

> <FORMULA>
C10H9ClN4O2S

> <MOLECULAR_WEIGHT>
284.722

> <EXACT_MASS>
284.013473949

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.00017950877010409696

> <JCHEM_AVERAGE_POLARIZABILITY>
26.28470502303934

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[(6-chloropyrazin-2-yl)amino]benzene-1-sulfonamide

> <ALOGPS_LOGP>
1.04

> <JCHEM_LOGP>
1.0025368903333336

> <ALOGPS_LOGS>
-3.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.350726342133758

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.742957091115922

> <JCHEM_PKA_STRONGEST_BASIC>
0.10408794370713971

> <JCHEM_POLAR_SURFACE_AREA>
97.97

> <JCHEM_REFRACTIVITY>
68.5679

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08134

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide

$$$$