Mrv1909 07262218212D          

 11 10  0  0  0  0            999 V2000
    0.5862    0.6719    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -0.1537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253    1.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    1.3907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810    0.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8406    0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8406   -0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.3907    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5558    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558   -1.1313    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  2   9  -1  11   1
M  END
> <DATABASE_ID>
DBSALT003222

> <DATABASE_NAME>
drugbank

> <SMILES>
[K+].CC1=CC([O-])=NS(=O)(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
WBZFUFAFFUEMEI-UHFFFAOYSA-M

> <FORMULA>
C4H4KNO4S

> <MOLECULAR_WEIGHT>
201.24

> <EXACT_MASS>
200.94981028

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9983507043811862

> <JCHEM_AVERAGE_POLARIZABILITY>
12.945765811086435

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium 6-methyl-2,2-dioxo-1,2lambda6,3-oxathiazin-4-olate

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
-0.1840269373333334

> <ALOGPS_LOGS>
-1.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.218015494004189

> <JCHEM_PKA_STRONGEST_BASIC>
-3.714443059329984

> <JCHEM_POLAR_SURFACE_AREA>
78.78999999999999

> <JCHEM_REFRACTIVITY>
44.409600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.56e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethoxyquin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003222

> <NAME>
Acesulfame potassium

> <DRUG_DRUGBANK_ID>
DB16868

> <DRUG_NAME>
Acesulfame

> <CAS_NUMBER>
55589-62-3

> <UNII>
23OV73Q5G9

$$$$