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Chemical ID: 7143785
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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