(2-Hydroxyethyl)(trimethyl)arsanium iodide

CAS Number: 86947-37-7
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C[As+](C)(C)CCO.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C5H14OAs
Molecular Weight
165.087
Drug-likeness
-2.2456
CAS
86947-37-7
InChI key
BLPMIRTZBTYDOX-UHFFFAOYSA-M
SMILES
C[As+](C)(C)CCO.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 86947-37-7
Molecule Name (2-Hydroxyethyl)(trimethyl)arsanium iodide
Molecular Formula I.C5H14OAs
SMILES C[As+](C)(C)CCO.[I-]
InChI InChI=1S/C5H14AsO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key BLPMIRTZBTYDOX-UHFFFAOYSA-M
CanonicalSyTyLFy 30cc69ec2928df36
TotalMolweight 291.987
Molecular Weight 165.087
MonoisotopicMass 165.026059
CLogP 2.1117
CLogS -3.074
H Acceptors 1
H Donors 1
TotalSurfaceArea 97.65
Relative PSA 0.13415
PolarSurfaceArea 20.23
Drug-likeness -2.2456
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.71429
Molecula Flexibility 0.79369
Molecular Complexity 0.4621
Fragments 2
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Sp3Atoms 6
Symmetricatoms 2

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