ChemDB: Chemical Search
Download
Chemical ID: 7466701
Chemical ID:
7466701
Name [?]:
2-[2-(2-fluorophenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1ccc(c(c1)c2nc(cs2)CC(=O)O)F
InChi [?]:
InChI=1/C11H8FNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,10,9,5,4,13,7,16,8,14,15,11/E:(14,15)/rA:16nCCCCCCCNCCSCCOOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8FNO2S |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4053 |
Area: | 394.482 |
Solvation: | -3.45676 |
Coulombic: | -34.9587 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.86 |
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 |
---|