Chemical ID: 7143840

c1cc(cc(c1)F)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
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

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Descriptor Annotations

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