Nitric acid--hydrazinecarboxamide (1/1)

CAS Number: 50917-68-5
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NC(NN)=O.[O-][N+](O)=O
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HNO3.CH5N3O
Molecular Weight
75.0707
Drug-likeness
-4.7372
CAS
50917-68-5
InChI key
LJEFNXVWFAKGKS-UHFFFAOYSA-N
SMILES
NC(NN)=O.[O-][N+](O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 50917-68-5
Molecule Name Nitric acid--hydrazinecarboxamide (1/1)
Molecular Formula HNO3.CH5N3O
SMILES NC(NN)=O.[O-][N+](O)=O
InChI InChI=1S/CH5N3O.HNO3/c2-1(5)4-3;2-1(3)4/h3H2,(H3,2,4,5);(H,2,3,4)
InChI Key LJEFNXVWFAKGKS-UHFFFAOYSA-N
CanonicalSyTyLFy 4fdea3c7c0fb400f
TotalMolweight 138.083
Molecular Weight 75.0707
MonoisotopicMass 75.043262
CLogP -2.0835
CLogS -1.075
H Acceptors 4
H Donors 3
TotalSurfaceArea 59.75
Relative PSA 0.92117
PolarSurfaceArea 81.14
Drug-likeness -4.7372
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.8
Molecula Flexibility 0.5461
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 4
Electronegative Atoms 4
Sp3Atoms 1
Amides 1

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