CID 40980617
PubChem CID
40980617
Structure
Molecular Formula
Status
Non-live
Molecular Weight
235.28 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(6R)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
InChI=1S/C11H12N2O2S/c1-6-2-3-8-9(4-6)16-11-12-7(10(14)15)5-13(8)11/h5-6H,2-4H2,1H3,(H,14,15)/p-1/t6-/m1/s1
UTWDKOITFNGDEO-ZCFIWIBFSA-M
C[C@@H]1CCC2=C(C1)SC3=NC(=CN23)C(=O)[O-]
C11H11N2O2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
235.28 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
235.05412377 g/mol
Property Name
Monoisotopic Mass
Property Value
235.05412377 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.7 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
307
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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