CID 33747124
PubChem CID
33747124
Structure
Molecular Formula
Status
Non-live
Molecular Weight
220.63 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
5-chloro-8-methylquinoline-4-carboxylate
InChI=1S/C11H8ClNO2/c1-6-2-3-8(12)9-7(11(14)15)4-5-13-10(6)9/h2-5H,1H3,(H,14,15)/p-1
SMQWKOZYRMNUGC-UHFFFAOYSA-M
CC1=C2C(=C(C=C1)Cl)C(=CC=N2)C(=O)[O-]
C11H7ClNO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
220.63 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
0
Property Name
Exact Mass
Property Value
220.0165312 g/mol
Property Name
Monoisotopic Mass
Property Value
220.0165312 g/mol
Property Name
Topological Polar Surface Area
Property Value
53 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
253
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