CID 54747019
PubChem CID
54747019
Structure
Molecular Formula
Status
Non-live
Molecular Weight
284.31 g/mol
Dates
- Create:2011-12-27
Chemical Structure Depiction
2-carboxy-4-(cyclopentylsulfamoyl)phenolate
InChI=1S/C12H15NO5S/c14-11-6-5-9(7-10(11)12(15)16)19(17,18)13-8-3-1-2-4-8/h5-8,13-14H,1-4H2,(H,15,16)/p-1
ODPPQLNNOFCXAE-UHFFFAOYSA-M
C1CCC(C1)NS(=O)(=O)C2=CC(=C(C=C2)[O-])C(=O)O
C12H14NO5S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
284.31 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
284.05926872 g/mol
Property Name
Monoisotopic Mass
Property Value
284.05926872 g/mol
Property Name
Topological Polar Surface Area
Property Value
115 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
424
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