Molecule

ID:28858

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀FNO
Molecular Mass
273.3452032
Exact Mass
273.15289249
Charge
0
InChI
InChI=1S/C17H20FNO/c1-3-14-4-10-17(11-5-14)20-13(2)12-19-16-8-6-15(18)7-9-16/h4-11,13,19H,3,12H2,1-2H3
InChIKey
YFVBAXWLFNBGMF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(CNc1ccc(cc1)F)C
Isomeric Smiles
N(c1ccc(F)cc1)CC(Oc1ccc(cc1)CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.583161
LogD (pH = 7.4)
4.6070275
Log P
4.6073403
Molar Refractivity
81.0814
Polarizability
30.518044
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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