Molecule

ID:27573

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₂
Molecular Mass
261.35932
Exact Mass
261.17287898
Charge
0
InChI
InChI=1S/C16H23NO2/c1-2-16(18)14-6-8-15(9-7-14)19-13-12-17-10-4-3-5-11-17/h6-9H,2-5,10-13H2,1H3
InChIKey
PYULMQUYQWMIIR-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(cc1)OCCN1CCCCC1
Isomeric Smiles
N1(CCOc2ccc(C(=O)CC)cc2)CCCCC1
Calculated Properties
JChem
Acid pKa
16.861551
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.46601567
LogD (pH = 7.4)
2.2312415
Log P
2.9427686
Molar Refractivity
77.712
Polarizability
30.27378
Polar Surface Area
29.54
Rotatable Bonds
6
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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