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Chemical ID: 7143473
Chemical ID:
7143473
Name [?]:
2-hydroxy-5-[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)C(=O)O)O)O
InChi [?]:
InChI=1/C17H11NO5S2/c19-11-4-1-9(2-5-11)7-14-15(21)18(17(24)25-14)10-3-6-13(20)12(8-10)16(22)23/h1-8,19-20H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,17,7,20,6,15,3,19,18,8,9,21,12,11,25,24,10,22,23,13,14/E:(1,2)(4,5)(22,23)/rA:25nCCCCCCCCCONCSSCCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;d21;s21;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11NO5S2 |
All Atoms: | 36 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35282 |
Area: | 554.357 |
Solvation: | -4.5061 |
Coulombic: | -77.2233 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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