Molecule

ID:46320

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-2-6-15(7-3-1)18-12-11-17-10-8-14-5-4-9-16-13-14;/h1-3,6-7,14,16H,4-5,8-13H2;1H
InChIKey
VLYUMKBFXSLTQM-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOCCOc1ccccc1.Cl
Isomeric Smiles
N1CC(CCOCCOc2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.91679573
LogD (pH = 7.4)
-0.5407529
Log P
2.3175266
Molar Refractivity
73.1401
Polarizability
29.075481
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
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Molecule Details
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References
Bioactivity
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