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Chemical ID: 7140057
Chemical ID:
7140057
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C17H14N2O3S/c1-10-4-2-3-5-12(10)18-17-19-16(22)15(23-17)9-11-6-7-13(20)14(21)8-11/h2-9,20-21H,1H3,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,17,20,14,2,15,7,18,19,13,11,9,8,10,22,21,12,23/rA:23nCCCCCCCNCNCOCCCCCCCCOOS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O3S |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91348 |
Area: | 515.281 |
Solvation: | -3.96854 |
Coulombic: | -61.0431 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.371 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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