Mrv0541 02241205142D          

  5  4  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  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
M  CHG  2   1  -1   2   1
M  END
> <DATABASE_ID>
T3D3557

> <DATABASE_NAME>
t3db

> <SMILES>
[O-][N+](=O)OCl

> <INCHI_IDENTIFIER>
InChI=1S/ClNO3/c1-5-2(3)4

> <INCHI_KEY>
XYLGPCWDPLOBGP-UHFFFAOYSA-N

> <FORMULA>
ClNO3

> <MOLECULAR_WEIGHT>
97.458

> <EXACT_MASS>
96.956670578

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.590578820233912

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloro nitrate

> <JCHEM_LOGP>
0.9449130049999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.656201712102303

> <JCHEM_POLAR_SURFACE_AREA>
55.05

> <JCHEM_REFRACTIVITY>
15.394900000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
chlorine nitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3557

> <NAME>
Chlorine nitrate

> <CAS>
14545-72-3

> <SYNONYMS>
Chlorine nitric acid; Nitryl hypochlorite

> <TYPES>
Inorganic Compound; Non-Metal; Nitrite; Nitrate; Industrial/Workplace Toxin; Synthetic Compound

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