Molecule

ID:37516

General Information
Structure
Molecular Formula
C₁₆H₂₂FNO₃
Molecular Mass
295.3491832
Exact Mass
295.15837179
Charge
0
InChI
InChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-8-12(10-19)14(9-18)11-5-4-6-13(17)7-11/h4-7,12,14,19H,8-10H2,1-3H3/t12-,14-/m0/s1
InChIKey
PFQATTVCUBACQW-JSGCOSHPSA-N
Canonic Smiles
OC[C@@H]1CN(C[C@H]1c1cccc(c1)F)C(=O)OC(C)(C)C
Isomeric Smiles
C1[C@H]([C@@H](CN1C(=O)OC(C)(C)C)CO)c1cc(ccc1)F
Calculated Properties
JChem
Acid pKa
15.40826
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1074417
LogD (pH = 7.4)
2.1074417
Log P
2.1074417
Molar Refractivity
78.314
Polarizability
30.227789
Polar Surface Area
49.77
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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