Molecule

ID:9883

General Information
Structure
Molecular Formula
C₉H₇F₃O
Molecular Mass
188.1464896
Exact Mass
188.0448995
Charge
0
InChI
InChI=1S/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3
InChIKey
FYDUUODXZQITBF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1C(F)(F)F
Isomeric Smiles
FC(F)(F)c1c(C(=O)C)cccc1
Calculated Properties
JChem
Acid pKa
15.570298
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4087417
LogD (pH = 7.4)
2.4087417
Log P
2.4087417
Molar Refractivity
42.4345
Polarizability
15.24498
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation