Molecule

ID:97846

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀FNO₂
Molecular Mass
265.3232032
Exact Mass
265.14780711
Charge
0
InChI
InChI=1S/C15H20FNO2/c1-14(2,3)19-13(18)17-15(9-6-10-15)11-7-4-5-8-12(11)16/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,18)
InChIKey
SYMTYOONQRANMP-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCC1)c1ccccc1F)OC(C)(C)C
Isomeric Smiles
Fc1c(cccc1)C1(CCC1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.310328
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5677154
LogD (pH = 7.4)
3.567715
Log P
3.5677154
Molar Refractivity
71.3226
Polarizability
27.739614
Polar Surface Area
38.33
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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