(2,2-Dimethylpropyl)arsane

CAS Number: 117791-55-6
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CC(C)(C)C[AsH2]
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: high
Formula
C5H13As
Molecular Weight
148.08
Drug-likeness
-5.0672
CAS
117791-55-6
InChI key
RKFCUBZIAZEQRG-UHFFFAOYSA-N
SMILES
CC(C)(C)C[AsH2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 117791-55-6
Molecule Name (2,2-Dimethylpropyl)arsane
Molecular Formula C5H13As
SMILES CC(C)(C)C[AsH2]
InChI InChI=1S/C5H13As/c1-5(2,3)4-6/h4,6H2,1-3H3
InChI Key RKFCUBZIAZEQRG-UHFFFAOYSA-N
CanonicalSyTyLFy 6e24fa1955040f3e
TotalMolweight 148.08
Molecular Weight 148.08
MonoisotopicMass 148.023319
CLogP 2.1868
CLogS -3.618
TotalSurfaceArea 67.7
Drug-likeness -5.0672
Mutagenic low
Tumorigenic low
Reproductive Effective low
Irritant high
Nasty Functions unwanted atom
Shape Index 0.66667
Molecula Flexibility 0.68141
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Sp3Atoms 5
Symmetricatoms 2

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