N-(Hydrazinylmethylidene)urea--hydrogen chloride (1/1)

CAS Number: 41363-32-0
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NC(N=CNN)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C2H6N4O
Molecular Weight
102.097
Drug-likeness
-2.4609
CAS
41363-32-0
InChI key
GNNGFHFHNKPJQW-UHFFFAOYSA-N
SMILES
NC(N=CNN)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 41363-32-0
Molecule Name N-(Hydrazinylmethylidene)urea--hydrogen chloride (1/1)
Molecular Formula HCl.C2H6N4O
SMILES NC(N=CNN)=O.Cl
InChI InChI=1S/C2H6N4O.ClH/c3-2(7)5-1-6-4;/h1H,4H2,(H3,3,5,6,7);1H
InChI Key GNNGFHFHNKPJQW-UHFFFAOYSA-N
CanonicalSyTyLFy cf7ace143c13c98
TotalMolweight 138.558
Molecular Weight 102.097
MonoisotopicMass 102.054161
CLogP -2.2712
CLogS -1.582
H Acceptors 5
H Donors 3
TotalSurfaceArea 84.51
Relative PSA 0.78748
PolarSurfaceArea 93.5
Drug-likeness -2.4609
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.85714
Molecula Flexibility 0.58712
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 7
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 1
Amides 1
BasicNitrogens 1

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