(2-Methoxycyclohexane-1-tellurinyl)benzene

CAS Number: 82486-30-4
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COC(CCCC1)C1[Te](c1ccccc1)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C13H18O2Te
Molecular Weight
333.884
Drug-likeness
-5.58
CAS
82486-30-4
InChI key
GYSQCJHJLVGXLY-UHFFFAOYSA-N
SMILES
COC(CCCC1)C1[Te](c1ccccc1)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 82486-30-4
Molecule Name (2-Methoxycyclohexane-1-tellurinyl)benzene
Molecular Formula C13H18O2Te
SMILES COC(CCCC1)C1[Te](c1ccccc1)=O
InChI InChI=1S/C13H18O2Te/c1-15-12-9-5-6-10-13(12)16(14)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChI Key GYSQCJHJLVGXLY-UHFFFAOYSA-N
CanonicalSyTyLFy 6c4f288d6822062
TotalMolweight 333.884
Molecular Weight 333.884
MonoisotopicMass 336.036909
CLogP 3.0005
CLogS -2.514
H Acceptors 2
TotalSurfaceArea 175.1
Relative PSA 0.13158
PolarSurfaceArea 26.3
Drug-likeness -5.58
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.5625
Molecula Flexibility 0.51803
Molecular Complexity 0.65205
Fragments 1
Non HAtoms 16
NonCHAtoms 3
Electronegative Atoms 2
StereoCenters 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 2
StereoCon unknown chirality

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