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Chemical ID: 7143840
Chemical ID:
7143840
Name [?]:
4-[5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
InChi [?]:
InChI=1/C17H10FNO4S2/c18-10-3-1-2-9(6-10)7-14-15(21)19(17(24)25-14)11-4-5-12(16(22)23)13(20)8-11/h1-8,20H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,4,8,21,3,5,16,19,20,9,10,23,13,7,12,22,11,24,25,14,15/E:(22,23)/rA:25nCCCCCCFCCCONCSSCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;s19;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10FNO4S2 |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10001 |
Area: | 544.185 |
Solvation: | -4.50462 |
Coulombic: | -65.2415 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.396 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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