(2,2'-Bipyridine)dichloroplatinum(II)

CAS Number: 13965-31-6
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Cl[Pt]Cl.c1cc(-c2ncccc2)ncc1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
Cl2Pt.C10H8N2
Molecular Weight
156.188
Drug-likeness
-1.7698
CAS
13965-31-6
InChI key
YVQNEQKKLNWXEM-UHFFFAOYSA-L
SMILES
Cl[Pt]Cl.c1cc(-c2ncccc2)ncc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 13965-31-6
Molecule Name (2,2'-Bipyridine)dichloroplatinum(II)
Molecular Formula Cl2Pt.C10H8N2
SMILES Cl[Pt]Cl.c1cc(-c2ncccc2)ncc1
InChI InChI=1S/C10H8N2.2ClH.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;2*1H;/q;;;+2/p-2
InChI Key YVQNEQKKLNWXEM-UHFFFAOYSA-L
CanonicalSyTyLFy 57cd19c5fa13d542
TotalMolweight 422.174
Molecular Weight 156.188
MonoisotopicMass 156.068748
CLogP 1.499
CLogS -1.496
H Acceptors 2
TotalSurfaceArea 130.54
Relative PSA 0.16807
PolarSurfaceArea 25.78
Drug-likeness -1.7698
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.039899
Molecular Complexity 0.63811
Fragments 2
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Symmetricatoms 6
Aromatic Nitrogens 2

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