ChemDB: Chemical Search
Download
Chemical ID: 7245409
Chemical ID:
7245409
Name [?]:
2-[2-(4-hydroxyphenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1cc(ccc1c2nc(cs2)CC(=O)O)O
InChi [?]:
InChI=1/C11H9NO3S/c13-9-3-1-7(2-4-9)11-12-8(6-16-11)5-10(14)15/h1-4,6,13H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,10,6,9,3,13,7,8,16,14,15,11/E:(1,2)(3,4)(14,15)/rA:16nCCCCCCCNCCSCCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO3S |
All Atoms: | 25 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63592 |
Area: | 410.338 |
Solvation: | -3.62252 |
Coulombic: | -46.7926 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.26 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.48 |
LogP (Chemaxon): | 2.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|