Molecule

ID:97825

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈FNO₃
Molecular Mass
339.3602232
Exact Mass
339.12707166
Charge
0
InChI
InChI=1S/C20H18FNO3/c1-14-11-16(21)7-8-18(14)19-12-17(23)9-10-22(19)20(24)25-13-15-5-3-2-4-6-15/h2-11,19H,12-13H2,1H3
InChIKey
DVPKLKJJGNAJRX-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CN(C(C1)c1ccc(cc1C)F)C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(c2c(cc(cc2)F)C)CC(=O)C=C1)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
19.139694
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3999715
LogD (pH = 7.4)
4.3999715
Log P
4.3999715
Molar Refractivity
92.7351
Polarizability
35.237988
Polar Surface Area
46.61
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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