CID 32826599
PubChem CID
32826599
Structure
Molecular Formula
Status
Non-live
Molecular Weight
302.2 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxybenzamide
InChI=1S/C12H9Cl2NO2S/c13-9-5-7(1-3-10(9)16)12(17)15-6-8-2-4-11(14)18-8/h1-5,16H,6H2,(H,15,17)
LGSRGFAAOBZYMB-UHFFFAOYSA-N
C1=CC(=C(C=C1C(=O)NCC2=CC=C(S2)Cl)Cl)O
C12H9Cl2NO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
302.2 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
300.9731051 g/mol
Property Name
Monoisotopic Mass
Property Value
300.9731051 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
306
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
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CONTENTS