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Chemical ID: 6476657
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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