Chemical ID: 5733802

COc1ccccc1C=C2C(=NC(=Nc3cccc(c3)O)S2)O
Chemical ID:
5733802
Name [?]:
2-(3-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1ccccc1C=C2C(=NC(=Nc3cccc(c3)O)S2)O
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-8-3-2-5-11(14)9-15-16(21)19-17(23-15)18-12-6-4-7-13(20)10-12/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,17,7,16,18,4,9,20,8,15,19,3,10,11,13,14,12,21,23,2,22/rA:23nCOCCCCCCCCCNCNCCCCCCOSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s10s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.1865
Area:516.579
Solvation:-3.72798
Coulombic:-54.4742
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.91
LogP (Chemaxon):4.51

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