Molecule

ID:14906

General Information
Structure
Molecular Formula
C₁₄H₂₁FN₂
Molecular Mass
236.3283432
Exact Mass
236.1688769
Charge
0
InChI
InChI=1S/C14H21FN2/c1-2-17-9-5-7-13(17)11-16-10-12-6-3-4-8-14(12)15/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3
InChIKey
MOYOOSFYJWAKGJ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1ccccc1F
Isomeric Smiles
C1(N(CCC1)CC)CNCc1c(cccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.888938
LogD (pH = 7.4)
0.67362756
Log P
2.5153136
Molar Refractivity
69.5013
Polarizability
27.032219
Polar Surface Area
15.27
Rotatable Bonds
5
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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