Molecule

ID:46261

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₂
Molecular Mass
299.83614
Exact Mass
299.16520676
Charge
0
InChI
InChI=1S/C16H25NO2.ClH/c1-18-12-9-14-5-7-16(8-6-14)19-13-10-15-4-2-3-11-17-15;/h5-8,15,17H,2-4,9-13H2,1H3;1H
InChIKey
HOUTWNFUOUYSAD-UHFFFAOYSA-N
Canonic Smiles
COCCc1ccc(cc1)OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2ccc(cc2)CCOC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6398327
LogD (pH = 7.4)
-0.046930164
Log P
2.585702
Molar Refractivity
78.2453
Polarizability
30.838295
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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