Mrv1652302241718312D          

 19 19  0  0  0  0            999 V2000
    1.3496    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.8250    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0794   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2  11  -1  19   1
M  END
> <DATABASE_ID>
DBSALT002234

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=CC=C(Cl)N=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H8ClN4O2S.Na/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2;/q-1;+1

> <INCHI_KEY>
ODWMXYHUKDMPTR-UHFFFAOYSA-N

> <FORMULA>
C10H8ClN4NaO2S

> <MOLECULAR_WEIGHT>
306.7

> <EXACT_MASS>
305.9954187

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
25.50059749289415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
sodium 4-{[(6-chloropyridazin-3-yl)azanidyl]sulfonyl}aniline

> <ALOGPS_LOGP>
1.12

> <JCHEM_LOGP>
0.8532221506666664

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.595339651724606

> <JCHEM_PKA_STRONGEST_BASIC>
2.0165685416392174

> <JCHEM_POLAR_SURFACE_AREA>
95.17

> <JCHEM_REFRACTIVITY>
70.67660000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium 4-[(6-chloropyridazin-3-yl)azanidylsulfonyl]aniline

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002234

> <NAME>
Sulfachlorpyridazine sodium

> <DRUG_DRUGBANK_ID>
DB11461

> <DRUG_NAME>
Sulfachlorpyridazine

> <CAS_NUMBER>
23282-55-5

> <UNII>
N1LMA4960O

$$$$