Molecule

ID:47146

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-11(2)13-5-3-12(4-6-13)10-16-14-7-8-15-9-14;/h3-6,11,14-15H,7-10H2,1-2H3;1H
InChIKey
AOZMHNKGUZKLSU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COC1CNCC1)C.Cl
Isomeric Smiles
N1CCC(OCc2ccc(cc2)C(C)C)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5563275
LogD (pH = 7.4)
-0.17498834
Log P
2.6778302
Molar Refractivity
67.1069
Polarizability
26.49261
Polar Surface Area
21.26
Rotatable Bonds
4
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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