Molecule

ID:72246

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈FNO₃
Molecular Mass
279.3067232
Exact Mass
279.12707166
Charge
0
InChI
InChI=1S/C15H18FNO3/c1-2-20-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKey
SRKXFJVRNPZOHM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C(=O)c1ccc(cc1)F
Isomeric Smiles
N1(C(=O)c2ccc(cc2)F)CC(C(=O)OCC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1456592
LogD (pH = 7.4)
2.1456602
Log P
2.1456604
Molar Refractivity
72.8918
Polarizability
27.649004
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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