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Chemical ID: 5776389
Chemical ID:
5776389
Name [?]:
2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-thiazolidine-4-carboxylic acid
SMILES [?]:
c1ccc(c(c1)C2N(C(CS2)C(=O)O)C(=O)c3ccccc3F)Cl
InChi [?]:
InChI=1/C17H13ClFNO3S/c18-12-7-3-1-5-10(12)16-20(14(9-24-16)17(22)23)15(21)11-6-2-4-8-13(11)19/h1-8,14,16H,9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,2,20,6,18,3,21,10,5,17,4,22,9,15,7,12,24,23,8,16,13,14,11/E:(22,23)/rA:24cCCCCCCCNCCSCOOCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7s10;s9;d12;s12;s8;d15;s15;s17;d18;s19;d20;d17s21;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClFNO3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.7089 |
Area: | 488.68 |
Solvation: | -4.5081 |
Coulombic: | -49.9504 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.807 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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