Molecule

ID:23250

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₃
Molecular Mass
290.2896032
Exact Mass
290.10667057
Charge
0
InChI
InChI=1S/C15H15FN2O3/c1-20-13-4-2-3-5-14(13)21-9-15(19)18-12-8-10(17)6-7-11(12)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
KVBYPXHQACXHMK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCC(=O)Nc1cc(N)ccc1F
Isomeric Smiles
c1(NC(=O)COc2c(OC)cccc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.160909
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8805463
LogD (pH = 7.4)
1.8838496
Log P
1.8839644
Molar Refractivity
78.2631
Polarizability
28.84163
Polar Surface Area
73.58
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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