An official website of the United States government

CID 20650212

PubChem CID
20650212
Structure
CID 20650212_small.png
Molecular Formula
Status
Non-live
Molecular Weight
743.6 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 20650212.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

carbanide;platinum;quinolin-8-ol;hydrate

2.1.2 InChI

InChI=1S/2C9H7NO.3CH3.H2O.2Pt/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;/h2*1-6,11H;3*1H3;1H2;;/q;;3*-1;;;

2.1.3 InChIKey

NRGFXPOZLMMMAY-UHFFFAOYSA-N

2.1.4 SMILES

[CH3-].[CH3-].[CH3-].C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.O.[Pt].[Pt]

2.2 Molecular Formula

C21H25N2O3Pt2-3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
743.6 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
742.113995 g/mol
Property Name
Monoisotopic Mass
Property Value
743.11611 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.2A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
322
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
8
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS