PUBCHEM_13153737

CAS Number: 90054-07-2
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CC(C)(C)PC(C)(C)C.I[Hg]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HgI.C8H19P
Molecular Weight
146.213
Drug-likeness
-11.774
CAS
90054-07-2
InChI key
UOAMJBRFLGQBJQ-UHFFFAOYSA-M
SMILES
CC(C)(C)PC(C)(C)C.I[Hg]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 90054-07-2
Molecule Name PUBCHEM_13153737
Molecular Formula HgI.C8H19P
SMILES CC(C)(C)PC(C)(C)C.I[Hg]
InChI InChI=1S/C8H19P.Hg.HI/c1-7(2,3)9-8(4,5)6;;/h9H,1-6H3;;1H/q;+1;/p-1
InChI Key UOAMJBRFLGQBJQ-UHFFFAOYSA-M
CanonicalSyTyLFy a253ef87bc76bb7f
TotalMolweight 473.703
Molecular Weight 146.213
MonoisotopicMass 146.122437
CLogP 2.8572
CLogS -2.614
TotalSurfaceArea 107.88
Drug-likeness -11.774
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.8346
Molecular Complexity 0.34657
Fragments 2
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Sp3Atoms 9
Symmetricatoms 6

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