Chemical ID: 6476657

c1cc(ccc1C2NC(CS2)C(=O)O)OC(F)(F)F
Chemical ID:
6476657
Name [?]:
2-[4-(trifluoromethoxy)phenyl]thiazolidine-4-carboxylic acid
SMILES [?]:
c1cc(ccc1C2NC(CS2)C(=O)O)OC(F)(F)F
InChi [?]:
InChI=1/C11H10F3NO3S/c12-11(13,14)18-7-3-1-6(2-4-7)9-15-8(5-19-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,6,3,9,7,12,16,17,18,19,8,13,14,15,11/E:(1,2)(3,4)(12,13,14)(16,17)/rA:19cCCCCCCCNCCSCOOOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;s9;d12;s12;s3;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3NO3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.85267
Area:429.812
Solvation:-2.89263
Coulombic:-69.0415
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.263
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):0.08

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