(2-Methylphenyl)selanyl

CAS Number: 37773-21-0
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Cc(cccc1)c1[Se]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H7Se
Molecular Weight
170.093
Drug-likeness
-4.3599
CAS
37773-21-0
InChI key
KEJCHYPUJQVSCJ-UHFFFAOYSA-N
SMILES
Cc(cccc1)c1[Se]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 37773-21-0
Molecule Name (2-Methylphenyl)selanyl
Molecular Formula C7H7Se
SMILES Cc(cccc1)c1[Se]
InChI InChI=1S/C7H7Se/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI Key KEJCHYPUJQVSCJ-UHFFFAOYSA-N
CanonicalSyTyLFy c5cc218e5a73a4e8
TotalMolweight 170.093
Molecular Weight 170.093
MonoisotopicMass 170.971295
CLogP 2.006
CLogS -2.381
TotalSurfaceArea 78.77
Drug-likeness -4.3599
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.625
Molecular Complexity 0.64124
Fragments 1
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1

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