Molecule

ID:63702

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₂
Molecular Mass
259.34344
Exact Mass
259.15722892
Charge
0
InChI
InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h4-9H,10-12H2,1-3H3
InChIKey
OESDBFQMFCAJFP-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(=CC1)c1ccccc1)OC(C)(C)C
Isomeric Smiles
c1ccccc1C1=CCN(C(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.250565
LogD (pH = 7.4)
3.250565
Log P
3.250565
Molar Refractivity
77.1701
Polarizability
29.75004
Polar Surface Area
29.54
Rotatable Bonds
3
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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