ChemDB: Chemical Search
Download
Chemical ID: 7466791
Chemical ID:
7466791
Name [?]:
2-(2-fluorophenyl)-4-methyl-thiazole-5-carboxylic acid
SMILES [?]:
Cc1c(sc(n1)c2ccccc2F)C(=O)O
InChi [?]:
InChI=1/C11H8FNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,11,2,7,12,3,5,14,13,6,15,16,4/E:(14,15)/rA:16nCCCSCNCCCCCCFCOO/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8FNO2S |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31775 |
Area: | 388.364 |
Solvation: | -2.39135 |
Coulombic: | -37.5817 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
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 |
---|