Mrv0541 02241217172D          

  3  1  0  0  0  0            999 V2000
   -0.3606   -0.6006    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.3606    0.1999    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3606    0.6006    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
DBSALT001517

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[O-]Cl

> <INCHI_IDENTIFIER>
InChI=1S/ClO.Na/c1-2;/q-1;+1

> <INCHI_KEY>
SUKJFIGYRHOWBL-UHFFFAOYSA-N

> <FORMULA>
ClNaO

> <MOLECULAR_WEIGHT>
74.442

> <EXACT_MASS>
73.953537004

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.10576778692591783

> <JCHEM_AVERAGE_POLARIZABILITY>
3.146020916275331

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium hypochlorite

> <ALOGPS_LOGP>
0.30

> <JCHEM_LOGP>
0.31819389766666667

> <ALOGPS_LOGS>
0.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.9270968931592

> <JCHEM_PKA_STRONGEST_BASIC>
-5.892487818932166

> <JCHEM_POLAR_SURFACE_AREA>
23.06

> <JCHEM_REFRACTIVITY>
7.5792

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.53e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001517

> <NAME>
Sodium hypochlorite

> <DRUG_DRUGBANK_ID>
DB11123

> <DRUG_NAME>
Hypochlorite

> <CAS_NUMBER>
7681-52-9

> <UNII>
DY38VHM5OD

$$$$