(19,19,19-Trichlorononadecyl)silane

CAS Number: 134706-83-5
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[SiH3]CCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: high
Formula
C19H39Cl3Si
Molecular Weight
401.964
Drug-likeness
-13.057
CAS
134706-83-5
InChI key
KJXKNWBPBJCOKX-UHFFFAOYSA-N
SMILES
[SiH3]CCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 134706-83-5
Molecule Name (19,19,19-Trichlorononadecyl)silane
Molecular Formula C19H39Cl3Si
SMILES [SiH3]CCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl
InChI InChI=1S/C19H39Cl3Si/c20-19(21,22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23/h1-18H2,23H3
InChI Key KJXKNWBPBJCOKX-UHFFFAOYSA-N
CanonicalSyTyLFy 3b19123c68e1c5bf
TotalMolweight 401.964
Molecular Weight 401.964
MonoisotopicMass 400.188658
CLogP 10.118
CLogS -8.802
TotalSurfaceArea 311.1
Drug-likeness -13.057
Mutagenic high
Tumorigenic low
Reproductive Effective high
Irritant high
Shape Index 0.91304
Molecula Flexibility 0.53764
Molecular Complexity 0.42063
Fragments 1
Non HAtoms 23
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 18
Sp3Atoms 19
Symmetricatoms 2

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