Mrv1652312081619462D          

 16 14  0  0  0  0            999 V2000
   -0.5103    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041    1.4143    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.2041    0.5893    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6209    0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -2.7107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.3607    0.0000 Na  0  3  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  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
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  2   4  -1  16   1
M  END
> <DATABASE_ID>
DBSALT000986

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1

> <INCHI_KEY>
IHCDKJZZFOUARO-UHFFFAOYSA-M

> <FORMULA>
C8H11N2NaO4S

> <MOLECULAR_WEIGHT>
254.24

> <EXACT_MASS>
254.0337223

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
19.806233499230586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
sodium acetyl(4-aminobenzenesulfonyl)azanide hydrate

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
-0.2610410626666669

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.299983698566216

> <JCHEM_PKA_STRONGEST_BASIC>
2.1375402711797

> <JCHEM_POLAR_SURFACE_AREA>
86.46000000000001

> <JCHEM_REFRACTIVITY>
51.682200000000016

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.65e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium sulfacetamide(1-) hydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000986

> <NAME>
Sulfacetamide sodium

> <DRUG_DRUGBANK_ID>
DB00634

> <DRUG_NAME>
Sulfacetamide

> <CAS_NUMBER>
6209-17-2

> <UNII>
4NRT660KJQ

$$$$