(2,2-Dichloroethylidene)molybdenum

CAS Number: 90858-38-1
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ClC(C=[Mo])Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C2H2Cl2Mo
Molecular Weight
192.884
Drug-likeness
-1.7331
CAS
90858-38-1
InChI key
AHUBKTDNYLRYIW-UHFFFAOYSA-N
SMILES
ClC(C=[Mo])Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 90858-38-1
Molecule Name (2,2-Dichloroethylidene)molybdenum
Molecular Formula C2H2Cl2Mo
SMILES ClC(C=[Mo])Cl
InChI InChI=1S/C2H2Cl2.Mo/c1-2(3)4;/h1-2H;
InChI Key AHUBKTDNYLRYIW-UHFFFAOYSA-N
CanonicalSyTyLFy 2ade13356dad1e8d
TotalMolweight 192.884
Molecular Weight 192.884
MonoisotopicMass 193.85876
CLogP 1.1201
CLogS -1.455
TotalSurfaceArea 63.34
Drug-likeness -1.7331
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Nasty Functions unwanted atom
Shape Index 0.8
Molecula Flexibility 0.65568
Molecular Complexity 0.54931
Fragments 1
Non HAtoms 5
NonCHAtoms 3
Metal Atoms 1
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 1
Symmetricatoms 1

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