CID 40429438
PubChem CID
40429438
Structure
Molecular Formula
Status
Non-live
Molecular Weight
263.27 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
1,5-diphenylpyrazole-4-carboxylate
InChI=1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)/p-1
XFYHUVOWHZCRFB-UHFFFAOYSA-M
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)[O-]
C16H11N2O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
263.27 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
263.082052598 g/mol
Property Name
Monoisotopic Mass
Property Value
263.082052598 g/mol
Property Name
Topological Polar Surface Area
Property Value
58 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
330
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
Old substance
Old substance
Old substance
CONTENTS