Carbamimidic acid--nitric acid (1/1)

CAS Number: 124-47-0
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NC(O)=N.[O-][N+](O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HNO3.CH4N2O
Molecular Weight
63.0119
Drug-likeness
-5.509
CAS
124-47-0
InChI key
AYTGUZPQPXGYFS-UHFFFAOYSA-N
SMILES
NC(O)=N.[O-][N+](O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 124-47-0
Molecule Name Carbamimidic acid--nitric acid (1/1)
Molecular Formula HNO3.CH4N2O
SMILES NC(O)=N.[O-][N+](O)=O
InChI InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)
InChI Key AYTGUZPQPXGYFS-UHFFFAOYSA-N
CanonicalSyTyLFy 4110c2bbf072238b
TotalMolweight 123.068
Molecular Weight 63.0119
MonoisotopicMass 62.995644
CLogP -0.8585
CLogS -1.108
H Acceptors 4
H Donors 1
TotalSurfaceArea 43.52
Relative PSA 1
PolarSurfaceArea 66.05
Drug-likeness -5.509
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4
Sp3Atoms 2
AcidicOxygens 2

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