Molecule

ID:40487

General Information
Structure
Molecular Formula
C₁₆H₁₅FN₂O₃
Molecular Mass
302.3003032
Exact Mass
302.10667057
Charge
0
InChI
InChI=1S/C16H15FN2O3/c1-2-22-15(20)10-14-13(4-3-9-18-14)16(21)19-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21)
InChIKey
GEPVKHKUCHIVKA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(c1c(CC(=O)OCC)nccc1)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
10.972051
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5157802
LogD (pH = 7.4)
2.5163417
Log P
2.5164607
Molar Refractivity
80.1043
Polarizability
29.87679
Polar Surface Area
68.29
Rotatable Bonds
6
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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