Chloranium nitrite

CAS Number: 65283-98-9
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ON=O.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HCl.HNO2
Molecular Weight
47.0129
Drug-likeness
-3.2801
CAS
65283-98-9
InChI key
ZVFDEWVVVBNBHW-UHFFFAOYSA-N
SMILES
ON=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65283-98-9
Molecule Name Chloranium nitrite
Molecular Formula HCl.HNO2
SMILES ON=O.Cl
InChI InChI=1S/ClH.HNO2/c;2-1-3/h1H;(H,2,3)
InChI Key ZVFDEWVVVBNBHW-UHFFFAOYSA-N
CanonicalSyTyLFy f424cb9d17e4c8e2
TotalMolweight 83.4739
Molecular Weight 47.0129
MonoisotopicMass 47.000729
CLogP 0.3386
CLogS -0.353
H Acceptors 3
H Donors 1
TotalSurfaceArea 37.65
Relative PSA 1
PolarSurfaceArea 49.66
Drug-likeness -3.2801
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions nitroso
Shape Index 1
Fragments 2
Non HAtoms 3
NonCHAtoms 3
Electronegative Atoms 3
Sp3Atoms 1

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