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CID 11527142

PubChem CID
11527142
Structure
CID 11527142_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
265.27 g/mol
Dates
  • Create:
    2006-10-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 11527142.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]indol-2-one

2.1.2 InChI

InChI=1S/C15H11N3O2/c19-13-8-4-1-5-10(13)9-16-18-14-11-6-2-3-7-12(11)17-15(14)20/h1-9,16H,(H,17,18,20)/b10-9+

2.1.3 InChIKey

XJXAVTRBSYLDMV-MDZDMXLPSA-N

2.1.4 SMILES

C1=C/C(=C\NNC2=C3C=CC=CC3=NC2=O)/C(=O)C=C1

2.2 Molecular Formula

C15H11N3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
265.27 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
265.085126602 g/mol
Property Name
Monoisotopic Mass
Property Value
265.085126602 g/mol
Property Name
Topological Polar Surface Area
Property Value
70.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
701
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
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS