Chemical ID: 4703399

COc1ccc(cc1OC)c2nc(cs2)C(=O)O
Chemical ID:
4703399
Name [?]:
2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid
SMILES [?]:
COc1ccc(cc1OC)c2nc(cs2)C(=O)O
InChi [?]:
InChI=1/C12H11NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,7,14,6,13,3,8,11,16,12,17,18,2,9,15/E:(14,15)/rA:18nCOCCCCCCOCCNCCSCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s11s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.90221
Area:445.925
Solvation:-5.24592
Coulombic:-47.9106
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:265.286
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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