CID 32829335
PubChem CID
32829335
Structure
Molecular Formula
Status
Non-live
Molecular Weight
337.2 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4-carboxamide
InChI=1S/C15H10Cl2N2OS/c16-13-7-11(10-3-1-2-4-12(10)19-13)15(20)18-8-9-5-6-14(17)21-9/h1-7H,8H2,(H,18,20)
IXLRJTKAPYMAJK-UHFFFAOYSA-N
C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)NCC3=CC=C(S3)Cl
C15H10Cl2N2OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
337.2 g/mol
Property Name
XLogP3-AA
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
335.9890895 g/mol
Property Name
Monoisotopic Mass
Property Value
335.9890895 g/mol
Property Name
Topological Polar Surface Area
Property Value
70.2 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
385
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
Old substance
CONTENTS