(1H-Inden-1-yl)(dimethyl)phenylsilane

CAS Number: 27490-90-0
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C[Si](C)(C(C=C1)c2c1cccc2)c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C17H18Si
Molecular Weight
250.416
Drug-likeness
-43.856
CAS
27490-90-0
InChI key
BXSAORNZHGKCPO-KRWDZBQOSA-N
SMILES
C[Si](C)(C(C=C1)c2c1cccc2)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 27490-90-0
Molecule Name (1H-Inden-1-yl)(dimethyl)phenylsilane
Molecular Formula C17H18Si
SMILES C[Si](C)(C(C=C1)c2c1cccc2)c1ccccc1
InChI InChI=1S/C17H18Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-13,17H,1-2H3/t17-/m0/s1
InChI Key BXSAORNZHGKCPO-KRWDZBQOSA-N
CanonicalSyTyLFy 53c295b2db765b0b
TotalMolweight 250.416
Molecular Weight 250.416
MonoisotopicMass 250.117777
CLogP 4.6834
CLogS -4.718
TotalSurfaceArea 196.54
Drug-likeness -43.856
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.55556
Molecula Flexibility 0.44807
Molecular Complexity 0.75032
Fragments 1
Non HAtoms 18
NonCHAtoms 1
StereoCenters 1
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 3
StereoCon racemate

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