(2-Methoxydecane-1-tellurinyl)benzene

CAS Number: 84988-16-9
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CCCCCCCCC(C[Te](c1ccccc1)=O)OC
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C17H28O2Te
Molecular Weight
392.007
Drug-likeness
-18.564
CAS
84988-16-9
InChI key
JPEMVYNMBZKJHN-INIZCTEOSA-N
SMILES
CCCCCCCCC(C[Te](c1ccccc1)=O)OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 84988-16-9
Molecule Name (2-Methoxydecane-1-tellurinyl)benzene
Molecular Formula C17H28O2Te
SMILES CCCCCCCCC(C[Te](c1ccccc1)=O)OC
InChI InChI=1S/C17H28O2Te/c1-3-4-5-6-7-9-12-16(19-2)15-20(18)17-13-10-8-11-14-17/h8,10-11,13-14,16H,3-7,9,12,15H2,1-2H3/t16-/m0/s1
InChI Key JPEMVYNMBZKJHN-INIZCTEOSA-N
CanonicalSyTyLFy c6799a4d810553ab
TotalMolweight 392.007
Molecular Weight 392.007
MonoisotopicMass 394.115159
CLogP 5.7043
CLogS -5.805
H Acceptors 2
TotalSurfaceArea 243.4
Relative PSA 0.094659
PolarSurfaceArea 26.3
Drug-likeness -18.564
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.75
Molecula Flexibility 0.59335
Molecular Complexity 0.56985
Fragments 1
Non HAtoms 20
NonCHAtoms 3
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 11
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 12
Symmetricatoms 2
StereoCon racemate

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