(1-Benzylidene-1H-inden-3-yl)(trimethyl)silane

CAS Number: 89523-92-2
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C[Si](C)(C)C(c1c2cccc1)=CC2=Cc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C19H20Si
Molecular Weight
276.454
Drug-likeness
-46.756
CAS
89523-92-2
InChI key
BUOXGMPQXWOCAW-UHFFFAOYSA-N
SMILES
C[Si](C)(C)C(c1c2cccc1)=CC2=Cc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 89523-92-2
Molecule Name (1-Benzylidene-1H-inden-3-yl)(trimethyl)silane
Molecular Formula C19H20Si
SMILES C[Si](C)(C)C(c1c2cccc1)=CC2=Cc1ccccc1
InChI InChI=1S/C19H20Si/c1-20(2,3)19-14-16(13-15-9-5-4-6-10-15)17-11-7-8-12-18(17)19/h4-14H,1-3H3
InChI Key BUOXGMPQXWOCAW-UHFFFAOYSA-N
CanonicalSyTyLFy 42deb5a91c9458c
TotalMolweight 276.454
Molecular Weight 276.454
MonoisotopicMass 276.133427
CLogP 5.52
CLogS -5.116
TotalSurfaceArea 219.22
Drug-likeness -46.756
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant high
Shape Index 0.5
Molecula Flexibility 0.32255
Molecular Complexity 0.78763
Fragments 1
Non HAtoms 20
NonCHAtoms 1
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 4

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