Molecule

ID:100995

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂O
Molecular Mass
238.3011632
Exact Mass
238.14814146
Charge
0
InChI
InChI=1S/C13H19FN2O/c14-13-4-2-1-3-12(13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
InChIKey
ARELLQRYXAQYGS-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)Cc1ccccc1F
Isomeric Smiles
N1(Cc2c(F)cccc2)CCN(CC1)CCO
Calculated Properties
JChem
Acid pKa
15.593098
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1127001
LogD (pH = 7.4)
0.6292031
Log P
1.2143621
Molar Refractivity
67.1595
Polarizability
25.81102
Polar Surface Area
26.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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