Molecule

ID:65287

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂FNO₃
Molecular Mass
319.3705832
Exact Mass
319.15837179
Charge
0
InChI
InChI=1S/C18H22FNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-15(21)13-5-4-12(19)10-14(13)18/h4-5,10H,6-9,11H2,1-3H3
InChIKey
BHMZKFCDJYJFJH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2=O
Isomeric Smiles
C12(CCN(CC1)C(=O)OC(C)(C)C)c1cc(ccc1C(=O)C2)F
Calculated Properties
JChem
Acid pKa
16.318949
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.709573
LogD (pH = 7.4)
2.709573
Log P
2.709573
Molar Refractivity
85.1911
Polarizability
32.612648
Polar Surface Area
46.61
Rotatable Bonds
2
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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