Molecule

ID:8672

General Information
Structure
Loading...
Molecular Formula
C₆H₁₈F₃N
Molecular Mass
161.2090296
Exact Mass
161.13913424
Charge
0
InChI
InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
InChIKey
IKGLACJFEHSFNN-UHFFFAOYSA-N
Canonic Smiles
CCN(CC)CC.F.F.F
Isomeric Smiles
N(CC)(CC)CC.F.F.F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.2147028
LogD (pH = 7.4)
-1.4690653
Log P
1.2605933
Molar Refractivity
34.2339
Polarizability
13.342089
Polar Surface Area
3.24
Rotatable Bonds
3
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
Loading...
References
Loading...
Bioactivity
Loading...