CID 39430978
PubChem CID
39430978
Structure
Molecular Formula
Status
Non-live
Molecular Weight
302.73 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-[acetyl-[(3-chlorophenyl)methyl]amino]benzoate
InChI=1S/C16H14ClNO3/c1-11(19)18(10-12-4-2-6-14(17)8-12)15-7-3-5-13(9-15)16(20)21/h2-9H,10H2,1H3,(H,20,21)/p-1
SHSCCQQHUFEWJQ-UHFFFAOYSA-M
CC(=O)N(CC1=CC(=CC=C1)Cl)C2=CC=CC(=C2)C(=O)[O-]
C16H13ClNO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
302.73 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
3
Property Name
Exact Mass
Property Value
302.0583960 g/mol
Property Name
Monoisotopic Mass
Property Value
302.0583960 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
382
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