Molecule

ID:6684

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClF₃O₂
Molecular Mass
238.5909496
Exact Mass
238.00084177
Charge
0
InChI
InChI=1S/C9H6ClF3O2/c1-15-7-3-2-5(8(10)14)4-6(7)9(11,12)13/h2-4H,1H3
InChIKey
PBKYPTQBAQQVPT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(F)(F)F)C(=O)Cl
Isomeric Smiles
c1c(c(cc(c1)C(=O)Cl)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8843355
LogD (pH = 7.4)
2.8843355
Log P
2.8843355
Molar Refractivity
49.6096
Polarizability
18.008125
Polar Surface Area
26.3
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation