Chemical ID: 6627033

COc1ccccc1n2c(c(cn2)C(=O)O)C(F)(F)F
Chemical ID:
6627033
Name [?]:
1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILES [?]:
COc1ccccc1n2c(c(cn2)C(=O)O)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H9F3N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.6145
Area:410.942
Solvation:-4.65905
Coulombic:-56.5596
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.207
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):1.91

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue