Chemical ID: 6144147

c1ccc(c(c1)NC2=NC(=O)C(=Cc3ccc(c(c3)O)O)S2)O
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

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