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CID 5492242

PubChem CID
5492242
Structure
CID 5492242_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
200.20 g/mol
Dates
  • Create:
    2005-08-09

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 5492242.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-imidazol-2-ylidenehydrazinyl)benzaldehyde

2.1.2 InChI

InChI=1S/C10H8N4O/c15-7-8-1-3-9(4-2-8)13-14-10-11-5-6-12-10/h1-7,13H

2.1.3 InChIKey

HVWGLUPNHWHYBP-UHFFFAOYSA-N

2.1.4 SMILES

C1=CC(=CC=C1C=O)NN=C2N=CC=N2

2.2 Molecular Formula

C10H8N4O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
200.20 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
200.06981089 g/mol
Property Name
Monoisotopic Mass
Property Value
200.06981089 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.2 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
299
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS