(1-Methylcyclopenta-2,4-dien-1-yl)-lambda~1~-thallane

CAS Number: 34034-67-8
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CC1(C=CC=C1)[Tl]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H7Tl
Molecular Weight
283.502
Drug-likeness
0.10041
CAS
34034-67-8
InChI key
CILPNMNJUDKDMR-UHFFFAOYSA-N
SMILES
CC1(C=CC=C1)[Tl]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 34034-67-8
Molecule Name (1-Methylcyclopenta-2,4-dien-1-yl)-lambda~1~-thallane
Molecular Formula C6H7Tl
SMILES CC1(C=CC=C1)[Tl]
InChI InChI=1S/C6H7.Tl/c1-6-4-2-3-5-6;/h2-5H,1H3;
InChI Key CILPNMNJUDKDMR-UHFFFAOYSA-N
CanonicalSyTyLFy d92bb9a19cb683a9
TotalMolweight 283.502
Molecular Weight 283.502
MonoisotopicMass 284.029176
CLogP 1.3058
CLogS -1.381
TotalSurfaceArea 68.92
Drug-likeness 0.10041
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.57143
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 7
NonCHAtoms 1
Metal Atoms 1
Rings Closures 1
Small Rings 1
Sp3Atoms 2
Symmetricatoms 2

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