Nitric acid--N-(diaminomethylidene)guanidine (1/1)

CAS Number: 22817-07-8
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NC(N)=NC(N)=N.[O-][N+](O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HNO3.C2H7N5
Molecular Weight
101.113
Drug-likeness
0.26793
CAS
22817-07-8
InChI key
AVWOEAVWVDLXMA-UHFFFAOYSA-N
SMILES
NC(N)=NC(N)=N.[O-][N+](O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 22817-07-8
Molecule Name Nitric acid--N-(diaminomethylidene)guanidine (1/1)
Molecular Formula HNO3.C2H7N5
SMILES NC(N)=NC(N)=N.[O-][N+](O)=O
InChI InChI=1S/C2H7N5.HNO3/c3-1(4)7-2(5)6;2-1(3)4/h(H7,3,4,5,6,7);(H,2,3,4)
InChI Key AVWOEAVWVDLXMA-UHFFFAOYSA-N
CanonicalSyTyLFy d91e1fb9f4437411
TotalMolweight 164.125
Molecular Weight 101.113
MonoisotopicMass 101.070145
CLogP -2.1578
CLogS -0.579
H Acceptors 5
H Donors 4
TotalSurfaceArea 82.34
Relative PSA 0.8856
PolarSurfaceArea 114.27
Drug-likeness 0.26793
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.10105
Molecular Complexity 0.59725
Fragments 2
Non HAtoms 7
NonCHAtoms 5
Electronegative Atoms 5
Symmetricatoms 1
BasicNitrogens 2

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