(1Z)-Azido-N'-hydroxyethanimidamide

CAS Number: 67015-10-5
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N/C(/CN=[N+]=[N-])=N\O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C2H5N5O
Molecular Weight
115.096
Drug-likeness
-1.2933
CAS
67015-10-5
InChI key
FOTOYHFPKURHNE-UHFFFAOYSA-N
SMILES
N/C(/CN=[N+]=[N-])=N\O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 67015-10-5
Molecule Name (1Z)-Azido-N'-hydroxyethanimidamide
Molecular Formula C2H5N5O
SMILES N/C(/CN=[N+]=[N-])=N\O
InChI InChI=1S/C2H5N5O/c3-2(6-8)1-5-7-4/h8H,1H2,(H2,3,6)
InChI Key FOTOYHFPKURHNE-UHFFFAOYSA-N
CanonicalSyTyLFy bca98b57c314c4a
TotalMolweight 115.096
Molecular Weight 115.096
MonoisotopicMass 115.04941
CLogP -0.7707
CLogS -0.734
H Acceptors 6
H Donors 2
TotalSurfaceArea 95.74
Relative PSA 0.80708
PolarSurfaceArea 84.57
Drug-likeness -1.2933
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.875
Molecula Flexibility 0.61263
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 8
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Sp3Atoms 2

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