Molecule

ID:95214

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂O
Molecular Mass
238.3011632
Exact Mass
238.14814146
Charge
0
InChI
InChI=1S/C13H19FN2O/c14-13-3-1-2-12(10-13)11-16-6-4-15(5-7-16)8-9-17/h1-3,10,17H,4-9,11H2
InChIKey
FUOJLPURVUSPPR-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)Cc1cccc(c1)F
Isomeric Smiles
N1(Cc2cc(ccc2)F)CCN(CC1)CCO
Calculated Properties
JChem
Acid pKa
15.593098
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2209882
LogD (pH = 7.4)
0.53934026
Log P
1.2143621
Molar Refractivity
67.1595
Polarizability
25.811152
Polar Surface Area
26.71
Rotatable Bonds
4
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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