Molecule

ID:34967

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClF₃O₂
Molecular Mass
250.6016496
Exact Mass
250.00084177
Charge
0
InChI
InChI=1S/C10H6ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChIKey
LJHFYVKVIIMXQM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)CC(=O)C(F)(F)F
Isomeric Smiles
C(=O)(CC(=O)c1ccc(cc1)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
7.5578637
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4853384
LogD (pH = 7.4)
3.2600863
Log P
3.4891207
Molar Refractivity
52.171
Polarizability
19.252155
Polar Surface Area
34.14
Rotatable Bonds
4
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