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Chemical ID: 7143847
Chemical ID:
7143847
Name [?]:
5-[5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)C(=O)O)O)F
InChi [?]:
InChI=1/C17H10FNO4S2/c18-10-3-1-9(2-4-10)7-14-15(21)19(17(24)25-14)11-5-6-13(20)12(8-11)16(22)23/h1-8,20H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,7,20,6,3,15,19,18,8,9,21,12,25,11,24,10,22,23,13,14/E:(1,2)(3,4)(22,23)/rA:25nCCCCCCCCCONCSSCCCCCCCOOOF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;d21;s21;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10FNO4S2 |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15023 |
Area: | 544.473 |
Solvation: | -4.46159 |
Coulombic: | -65.1896 |
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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