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Chemical ID: 7142289
Chemical ID:
7142289
Name [?]:
3-[5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccc(c(c3)OC)O)SC2=S)C(=O)O
InChi [?]:
InChI=1/C19H15NO5S2/c1-10-3-5-12(18(23)24)9-13(10)20-17(22)16(27-19(20)26)8-11-4-6-14(21)15(7-11)25-2/h3-9,21H,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,20,3,14,4,15,18,12,6,2,13,5,7,16,17,11,9,25,23,8,21,10,26,27,19,24,22/E:(23,24)/rA:27nCCCCCCCNCOCCCCCCCCOCOSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s11;s8s22;d23;s5;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO5S2 |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.75589 |
Area: | 593.929 |
Solvation: | -5.09234 |
Coulombic: | -69.2551 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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