Molecule

ID:23525

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₃
Molecular Mass
318.3427632
Exact Mass
318.1379707
Charge
0
InChI
InChI=1S/C17H19FN2O3/c1-2-22-8-9-23-14-5-3-4-12(10-14)17(21)20-16-11-13(19)6-7-15(16)18/h3-7,10-11H,2,8-9,19H2,1H3,(H,20,21)
InChIKey
RQLDLFHRTLOXJW-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1cc(OCCOCC)ccc1
Calculated Properties
JChem
Acid pKa
10.605846
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5275521
LogD (pH = 7.4)
2.5307639
Log P
2.5310678
Molar Refractivity
88.7636
Polarizability
32.495834
Polar Surface Area
73.58
Rotatable Bonds
7
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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