Diiodo(tripropyl)-lambda~5~-phosphane--mercury (1/1)

CAS Number: 88228-36-8
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CCCP(CCC)(CCC)(I)I.[Hg]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
Hg.C9H21I2P
Molecular Weight
414.04
Drug-likeness
-13.597
CAS
88228-36-8
InChI key
TVYMGZYSHNSBEV-UHFFFAOYSA-N
SMILES
CCCP(CCC)(CCC)(I)I.[Hg]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 88228-36-8
Molecule Name Diiodo(tripropyl)-lambda~5~-phosphane--mercury (1/1)
Molecular Formula Hg.C9H21I2P
SMILES CCCP(CCC)(CCC)(I)I.[Hg]
InChI InChI=1S/C9H21I2P.Hg/c1-4-7-12(10,11,8-5-2)9-6-3;/h4-9H2,1-3H3;
InChI Key TVYMGZYSHNSBEV-UHFFFAOYSA-N
CanonicalSyTyLFy 80e9f2ca698b2212
TotalMolweight 614.63
Molecular Weight 414.04
MonoisotopicMass 413.947033
CLogP 0.5077
CLogS -3.332
TotalSurfaceArea 205.65
Drug-likeness -13.597
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.58333
Molecula Flexibility 0.31789
Molecular Complexity 0.51299
Fragments 2
Non HAtoms 12
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 6
Sp3Atoms 10
Symmetricatoms 7

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