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>
T3D4970

> <DATABASE_NAME>
t3db

> <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_AVERAGE_POLARIZABILITY>
3.146020916275331

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium hypochlorite

> <JCHEM_LOGP>
0.31819389766666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.130967255257815

> <JCHEM_PKA_STRONGEST_BASIC>
-4.9285149225502325

> <JCHEM_POLAR_SURFACE_AREA>
23.06

> <JCHEM_REFRACTIVITY>
7.5792

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium hypochlorite

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4970

> <NAME>
Sodium hypochlorite

> <CAS>
7681-52-9

> <SYNONYMS>
Hypochlorite sodium; Hypochlorous acid, sodium salt; NaClO; NaOCl; Sodium oxychloride

> <TYPES>
Disinfectant; Lachrymator; Industrial/Workplace Toxin; Synthetic Compound

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