Molecule

ID:66109

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅F₂N
Molecular Mass
163.2082064
Exact Mass
163.11725593
Charge
0
InChI
InChI=1S/C8H15F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h2-7H2,1H3
InChIKey
ZWKQQVDONOMRAX-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)(F)F
Isomeric Smiles
N1(CCC(CC1)(F)F)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.95845056
LogD (pH = 7.4)
0.7110302
Log P
2.1392238
Molar Refractivity
40.8633
Polarizability
15.715318
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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