1,3,5,7,2,4,6,8-Tetrazatetraphosphocine

CAS Number: 293-39-0
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N1=P\N=P/N=P\N=P1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
N4P4
Molecular Weight
179.924
Drug-likeness
-7.0375
CAS
293-39-0
InChI key
WJYZUJWXUHDLJI-UHFFFAOYSA-N
SMILES
N1=P\N=P/N=P\N=P1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 293-39-0
Molecule Name 1,3,5,7,2,4,6,8-Tetrazatetraphosphocine
Molecular Formula N4P4
SMILES N1=P\N=P/N=P\N=P1
InChI InChI=1S/N4P4/c1-5-2-7-4-8-3-6-1
InChI Key WJYZUJWXUHDLJI-UHFFFAOYSA-N
CanonicalSyTyLFy 2088e77d65af7e19
TotalMolweight 179.924
Molecular Weight 179.924
MonoisotopicMass 179.907344
CLogS -0.53
H Acceptors 4
TotalSurfaceArea 46.04
Relative PSA 1
PolarSurfaceArea 186
Drug-likeness -7.0375
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.18862
Molecular Complexity 0.44794
Fragments 1
Non HAtoms 8
NonCHAtoms 8
Electronegative Atoms 8
Rings Closures 1
Sp3Atoms 4
Symmetricatoms 6

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