Molecule

ID:115022

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₂O₂
Molecular Mass
262.2795032
Exact Mass
262.11175595
Charge
0
InChI
InChI=1S/C14H15FN2O2/c1-9-11(7-8-14(18)19)10(2)17(16-9)13-6-4-3-5-12(13)15/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKey
DNIIQRHJPOPMLF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1c(C)nn(c1C)c1ccccc1F
Isomeric Smiles
n1(nc(c(c1C)CCC(=O)O)C)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
4.2740064
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3323793
LogD (pH = 7.4)
-0.39074433
Log P
2.378319
Molar Refractivity
70.2859
Polarizability
26.64818
Polar Surface Area
55.12
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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