CID 39398843
PubChem CID
39398843
Structure
Molecular Formula
Status
Non-live
Molecular Weight
290.74 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]propanoate
InChI=1S/C11H14ClNO4S/c1-8-7-9(3-4-10(8)12)18(16,17)13(2)6-5-11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)/p-1
WQCZBGSPVSHAIS-UHFFFAOYSA-M
CC1=C(C=CC(=C1)S(=O)(=O)N(C)CCC(=O)[O-])Cl
C11H13ClNO4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.74 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
290.0253818 g/mol
Property Name
Monoisotopic Mass
Property Value
290.0253818 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.9 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
387
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