Chemical ID: 7140057

Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
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

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