Chemical ID: 7143847

c1cc(ccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)C(=O)O)O)F
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

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Descriptor Annotations

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