Phosphorodiazidous chloride

CAS Number: 69715-79-3
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[N-]=[N+]=NP(N=[N+]=[N-])Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
N6ClP
Molecular Weight
150.469
Drug-likeness
-12.345
CAS
69715-79-3
InChI key
XJVTTZVQHSWRTO-UHFFFAOYSA-N
SMILES
[N-]=[N+]=NP(N=[N+]=[N-])Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 69715-79-3
Molecule Name Phosphorodiazidous chloride
Molecular Formula N6ClP
SMILES [N-]=[N+]=NP(N=[N+]=[N-])Cl
InChI InChI=1S/ClN6P/c1-8(6-4-2)7-5-3
InChI Key XJVTTZVQHSWRTO-UHFFFAOYSA-N
CanonicalSyTyLFy c19345167b9d7792
TotalMolweight 150.469
Molecular Weight 150.469
MonoisotopicMass 149.961058
CLogS -1.165
H Acceptors 6
TotalSurfaceArea 96.95
Relative PSA 0.77133
PolarSurfaceArea 65.51
Drug-likeness -12.345
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.875
Molecula Flexibility 0.63796
Molecular Complexity 0.53648
Fragments 1
Non HAtoms 8
NonCHAtoms 8
Electronegative Atoms 8
Rotatable Bond 2
Sp3Atoms 1
Symmetricatoms 3

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