Nitrogen dioxide

CAS Number: 10102-44-0
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ON=O
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
NO2
Molecular Weight
46.005
Drug-likeness
-3.2801
CAS
10102-44-0
InChI key
JCXJVPUVTGWSNB-UHFFFAOYSA-N
SMILES
ON=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10102-44-0
Molecule Name Nitrogen dioxide
Molecular Formula NO2
SMILES ON=O
InChI InChI=1S/NO2/c2-1-3
InChI Key JCXJVPUVTGWSNB-UHFFFAOYSA-N
CanonicalSyTyLFy 9e49c022f484e256
TotalMolweight 46.005
Molecular Weight 46.005
MonoisotopicMass 45.992904
CLogP 0.3386
CLogS -0.353
H Acceptors 3
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 1
Non HAtoms 3
NonCHAtoms 3
Electronegative Atoms 3
Sp3Atoms 1

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