CID 39369344
PubChem CID
39369344
Structure
Molecular Formula
Status
Non-live
Molecular Weight
269.27 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-[acetyl(pyridin-3-ylmethyl)amino]benzoate
InChI=1S/C15H14N2O3/c1-11(18)17(10-12-4-3-7-16-9-12)14-6-2-5-13(8-14)15(19)20/h2-9H,10H2,1H3,(H,19,20)/p-1
SROSIUUBBNWKMP-UHFFFAOYSA-M
CC(=O)N(CC1=CN=CC=C1)C2=CC=CC(=C2)C(=O)[O-]
C15H13N2O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.27 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
269.09261728 g/mol
Property Name
Monoisotopic Mass
Property Value
269.09261728 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.3 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
354
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
CONTENTS