Chemical ID: 5776389

c1ccc(c(c1)C2N(C(CS2)C(=O)O)C(=O)c3ccccc3F)Cl
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

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