Molecule

ID:23293

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂
Molecular Mass
302.3433632
Exact Mass
302.14305608
Charge
0
InChI
InChI=1S/C17H19FN2O2/c1-11(2)10-22-16-6-4-3-5-13(16)17(21)20-15-9-12(19)7-8-14(15)18/h3-9,11H,10,19H2,1-2H3,(H,20,21)
InChIKey
UBLYIFXCJVNECN-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(c1c(OCC(C)C)cccc1)Nc1cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
10.326481
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4616964
LogD (pH = 7.4)
3.464996
Log P
3.4655385
Molar Refractivity
86.7157
Polarizability
31.781519
Polar Surface Area
64.35
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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