Chemical ID: 7143785

c1cc(oc1)C=CC=C2C(=O)N(C(=S)S2)c3ccc(c(c3)C(=O)O)O
Chemical ID:
7143785
Name [?]:
5-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(oc1)C=CC=C2C(=O)N(C(=S)S2)c3ccc(c(c3)C(=O)O)O
InChi [?]:
InChI=1/C17H11NO5S2/c19-13-7-6-10(9-12(13)16(21)22)18-15(20)14(25-17(18)24)5-1-3-11-4-2-8-23-11/h1-9,19H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:7,1,6,2,8,17,18,5,21,16,3,20,19,9,10,22,13,12,25,11,23,24,4,14,15/E:(21,22)/rA:25nCCCOCCCCCCONCSSCCCCCCCOOO/rB:s1;d2;s3;d1s4;s3;w6;s7;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11NO5S2
All Atoms:36
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.7342
Area:575.539
Solvation:-4.65428
Coulombic:-67.8077
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:373.405
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.77
LogP (Chemaxon):3.85

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