Molecule

ID:11564

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂ClNO₂
Molecular Mass
307.81508
Exact Mass
307.13390663
Charge
0
InChI
InChI=1S/C17H21NO2.ClH/c1-19-16-10-6-9-15(17(16)20-2)13-18-12-11-14-7-4-3-5-8-14;/h3-10,18H,11-13H2,1-2H3;1H
InChIKey
BZAASLFYTGGFCE-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCCc2ccccc2)cccc1OC.Cl
Isomeric Smiles
c1c(CNCCc2ccccc2)c(c(cc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12900563
LogD (pH = 7.4)
1.4802392
Log P
3.2293863
Molar Refractivity
81.6
Polarizability
31.953526
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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