Molecule
ID:96398
General Information
Molecular Formula
C₁₀H₈ClF₃O
Molecular Mass
236.6181296
Exact Mass
236.02157722
Charge
0
InChI
InChI=1S/C10H8ClF3O/c11-9(10(12,13)14)8(6-15)7-4-2-1-3-5-7/h1-6,8-9H
InChIKey
ULILMOLQLRJVLE-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(F)(F)F)Cl)c1ccccc1
Isomeric Smiles
FC(C(C(c1ccccc1)C=O)Cl)(F)F
Calculated Properties
JChem
Acid pKa
7.717168
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0814238
LogD (pH = 7.4)
2.913402
Log P
3.084048
Molar Refractivity
50.9607
Polarizability
19.020844
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...