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Chemical ID: 7136938
Chemical ID:
7136938
Name [?]:
5-[(2,4-dihydroxyphenyl)methylene]-3-(2,3-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3O)O)SC2=S
InChi [?]:
InChI=1/C18H15NO3S2/c1-10-4-3-5-14(11(10)2)19-17(22)16(24-18(19)23)8-12-6-7-13(20)9-15(12)21/h3-9,20-21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,15,16,13,18,2,7,14,17,6,19,12,10,23,9,21,20,11,24,22/rA:24nCCCCCCCCNCOCCCCCCCCOOSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3S2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1141 |
Area: | 539.423 |
Solvation: | -3.37142 |
Coulombic: | -51.097 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 357.449 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.24 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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