Chemical ID: 7143501

c1cc(ccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O)O
Chemical ID:
7143501
Name [?]:
2-hydroxy-4-[5-[(4-hydroxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-benzoic acid
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O)O
InChi [?]:
InChI=1/C17H11NO5S2/c19-11-4-1-9(2-5-11)7-14-15(21)18(17(24)25-14)10-3-6-12(16(22)23)13(20)8-10/h1-8,19-20H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,17,7,20,6,15,3,18,19,8,9,22,12,11,25,21,10,23,24,13,14/E:(1,2)(4,5)(22,23)/rA:25nCCCCCCCCCONCSSCCCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11NO5S2
All Atoms:36
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.32101
Area:554.315
Solvation:-4.53686
Coulombic:-77.2932
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:373.405
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.39
LogP (Chemaxon):4.09

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Descriptor Annotations

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