CID 51707211
PubChem CID
51707211
Structure
Molecular Formula
Status
Non-live
Molecular Weight
276.26 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R,4S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
InChI=1S/C11H10F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)/p-1/t8-,9-/m1/s1
IYXKNSQXIDNVDV-RKDXNWHRSA-M
C1[C@@H](N[C@H](S1)C2=CC=C(C=C2)C(F)(F)F)C(=O)[O-]
C11H9F3NO2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.26 g/mol
Property Name
XLogP3-AA
Property Value
0.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
276.03060919 g/mol
Property Name
Monoisotopic Mass
Property Value
276.03060919 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
310
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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