Molecule

ID:21809

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO
Molecular Mass
281.82086
Exact Mass
281.15464207
Charge
0
InChI
InChI=1S/C16H23NO.ClH/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14;/h5,7-10,17H,2-4,6,11-13H2,1H3;1H
InChIKey
KMOXNOLPBQLLOR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCCC1=CCCCC1.Cl
Isomeric Smiles
C1(=CCCCC1)CCNCc1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24664506
LogD (pH = 7.4)
1.1374606
Log P
3.449242
Molar Refractivity
77.0422
Polarizability
30.01742
Polar Surface Area
21.26
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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