(2-Nitrosoethenyl)hydrazine

CAS Number: 155944-18-6
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NNC=CN=O
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
C2H5N3O
Molecular Weight
87.0817
Drug-likeness
-5.3892
CAS
155944-18-6
InChI key
IRAWGTQZJZSYIA-UHFFFAOYSA-N
SMILES
NNC=CN=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 155944-18-6
Molecule Name (2-Nitrosoethenyl)hydrazine
Molecular Formula C2H5N3O
SMILES NNC=CN=O
InChI InChI=1S/C2H5N3O/c3-4-1-2-5-6/h1-2,4H,3H2
InChI Key IRAWGTQZJZSYIA-UHFFFAOYSA-N
CanonicalSyTyLFy 460668eead5880df
TotalMolweight 87.0817
Molecular Weight 87.0817
MonoisotopicMass 87.043262
CLogP -2.5487
CLogS -1.138
H Acceptors 4
H Donors 2
TotalSurfaceArea 77.78
Relative PSA 0.6593
PolarSurfaceArea 67.48
Drug-likeness -5.3892
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine; nitroso
Shape Index 1
Molecula Flexibility 0.3228
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 6
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Sp3Atoms 1

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