Triethyl(phenyl)arsanium iodide

CAS Number: 30295-66-0
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CC[As+](CC)(CC)c1ccccc1.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C12H20As
Molecular Weight
239.213
Drug-likeness
-2.4599
CAS
30295-66-0
InChI key
SSKSKSUJPMPOLD-UHFFFAOYSA-M
SMILES
CC[As+](CC)(CC)c1ccccc1.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 30295-66-0
Molecule Name Triethyl(phenyl)arsanium iodide
Molecular Formula I.C12H20As
SMILES CC[As+](CC)(CC)c1ccccc1.[I-]
InChI InChI=1S/C12H20As.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1
InChI Key SSKSKSUJPMPOLD-UHFFFAOYSA-M
CanonicalSyTyLFy a1df14032e87115
TotalMolweight 366.113
Molecular Weight 239.213
MonoisotopicMass 239.078094
CLogP 4.2279
CLogS -8.878
TotalSurfaceArea 164.82
Drug-likeness -2.4599
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.53846
Molecula Flexibility 0.67319
Molecular Complexity 0.49074
Fragments 2
Non HAtoms 13
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 6

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