ChemDB: Chemical Search
Download
Chemical ID: 7245217
Chemical ID:
7245217
Name [?]:
2-[2-(m-tolyl)thiazol-4-yl]acetic acid
SMILES [?]:
Cc1cccc(c1)c2nc(cs2)CC(=O)O
InChi [?]:
InChI=1/C12H11NO2S/c1-8-3-2-4-9(5-8)12-13-10(7-16-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,13,11,2,6,10,14,8,9,15,16,12/E:(14,15)/rA:16nCCCCCCCCNCCSCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2S |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56423 |
Area: | 412.695 |
Solvation: | -2.75313 |
Coulombic: | -31.6186 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.32 |
LogP (Chemaxon): | 3.19 |
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 |
---|