Molecule

ID:46636

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₂
Molecular Mass
299.83614
Exact Mass
299.16520676
Charge
0
InChI
InChI=1S/C16H25NO2.ClH/c1-2-12-18-15-6-8-16(9-7-15)19-13-10-14-5-3-4-11-17-14;/h6-9,14,17H,2-5,10-13H2,1H3;1H
InChIKey
YSMHRNSIZDKEOC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2ccc(cc2)OCCC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.08261156
LogD (pH = 7.4)
0.510291
Log P
3.142923
Molar Refractivity
77.659
Polarizability
30.902082
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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