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Chemical ID: 6144147
Chemical ID:
6144147
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(2-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
c1ccc(c(c1)NC2=NC(=O)C(=Cc3ccc(c(c3)O)O)S2)O
InChi [?]:
InChI=1/C16H12N2O4S/c19-11-4-2-1-3-10(11)17-16-18-15(22)14(23-16)8-9-5-6-12(20)13(21)7-9/h1-8,19-21H,(H,17,18,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,19,13,14,5,4,17,18,12,10,8,7,9,23,21,20,11,22/rA:23nCCCCCCNCNCOCCCCCCCCOOSO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09843 |
Area: | 510.964 |
Solvation: | -4.67568 |
Coulombic: | -77.461 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.344 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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