Molecule

ID:53684

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂F₃N
Molecular Mass
167.1720896
Exact Mass
167.09218405
Charge
0
InChI
InChI=1S/C7H12F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4,11H2
InChIKey
YCBWLMWEQURJHX-UHFFFAOYSA-N
Canonic Smiles
NC1CCC(CC1)C(F)(F)F
Isomeric Smiles
NC1CCC(CC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2898161
LogD (pH = 7.4)
-1.0046172
Log P
1.7381251
Molar Refractivity
36.3395
Polarizability
13.781016
Polar Surface Area
26.02
Rotatable Bonds
1
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