Molecule

ID:13127

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-2-18-15-7-6-13(12-17)10-14(15)11-16-8-4-3-5-9-16/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKey
WOEHFCUOOYMGNF-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1CN1CCCCC1)C=O
Isomeric Smiles
c1c(c(cc(c1)C=O)CN1CCCCC1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8047569
LogD (pH = 7.4)
2.38742
Log P
2.6766477
Molar Refractivity
74.5385
Polarizability
28.426159
Polar Surface Area
29.54
Rotatable Bonds
5
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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