Molecule
ID:66118
General Information
Molecular Formula
C₇H₉F₂N
Molecular Mass
145.1498664
Exact Mass
145.07030573
Charge
0
InChI
InChI=1S/C7H9F2N/c1-2-7(8,9)6-4-3-5-10-6/h3-5,10H,2H2,1H3
InChIKey
NJKGPMZPNJPBQM-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc[nH]1)(F)F
Isomeric Smiles
c1cc([nH]c1)C(CC)(F)F
Calculated Properties
JChem
Acid pKa
15.855903
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.247155
LogD (pH = 7.4)
2.247155
Log P
2.247155
Molar Refractivity
35.2689
Polarizability
13.037515
Polar Surface Area
15.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...