NSC263681

CAS Number: 71361-15-4
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CCCC[NH-].CCCC[NH-].I[Pt+2]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I2Pt.C4H10N.C4H10N
Molecular Weight
72.1304
Drug-likeness
-4.0646
CAS
71361-15-4
InChI key
CVLBNZFVQNIGEL-UHFFFAOYSA-L
SMILES
CCCC[NH-].CCCC[NH-].I[Pt+2]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 71361-15-4
Molecule Name NSC263681
Molecular Formula I2Pt.C4H10N.C4H10N
SMILES CCCC[NH-].CCCC[NH-].I[Pt+2]I
InChI InChI=1S/2C4H10N.2HI.Pt/c2*1-2-3-4-5;;;/h2*5H,2-4H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChI Key CVLBNZFVQNIGEL-UHFFFAOYSA-L
CanonicalSyTyLFy 10fe6a6981206434
TotalMolweight 593.141
Molecular Weight 72.1304
MonoisotopicMass 72.081324
CLogP -2.6093
CLogS -1.093
H Acceptors 1
H Donors 1
TotalSurfaceArea 60.29
Drug-likeness -4.0646
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.63534
Molecular Complexity 0.54931
Fragments 3
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Sp3Atoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1

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