Chemical ID: 7141528

Cc1ccc(cc1N2C(=O)C(=Cc3ccc(c(c3)O)O)SC2=S)C(=O)O
Chemical ID:
7141528
Name [?]:
3-[5-[(3,4-dihydroxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccc(c(c3)O)O)SC2=S)C(=O)O
InChi [?]:
InChI=1/C18H13NO5S2/c1-9-2-4-11(17(23)24)8-12(9)19-16(22)15(26-18(19)25)7-10-3-5-13(20)14(21)6-10/h2-8,20-21H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,14,4,15,18,12,6,2,13,5,7,16,17,11,9,24,22,8,20,19,10,25,26,23,21/E:(23,24)/rA:26nCCCCCCCNCOCCCCCCCCOOSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s16;s11;s8s21;d22;s5;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13NO5S2
All Atoms:39
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.70368
Area:572.908
Solvation:-4.61903
Coulombic:-77.9899
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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