CID 40424919
PubChem CID
40424919
Structure
Molecular Formula
Status
Non-live
Molecular Weight
340.8 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
8-chloro-2-(4-propoxyphenyl)quinoline-4-carboxylate
InChI=1S/C19H16ClNO3/c1-2-10-24-13-8-6-12(7-9-13)17-11-15(19(22)23)14-4-3-5-16(20)18(14)21-17/h3-9,11H,2,10H2,1H3,(H,22,23)/p-1
ZDWNEAJELOWVML-UHFFFAOYSA-M
CCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)[O-]
C19H15ClNO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
340.8 g/mol
Property Name
XLogP3-AA
Property Value
5.5
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
4
Property Name
Exact Mass
Property Value
340.0740460 g/mol
Property Name
Monoisotopic Mass
Property Value
340.0740460 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.3 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
419
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
CONTENTS