Molecule

ID:46629

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₂
Molecular Mass
319.82578
Exact Mass
319.13390663
Charge
0
InChI
InChI=1S/C18H21NO2.ClH/c1-2-4-15(5-3-1)13-20-17-6-8-18(9-7-17)21-14-16-10-11-19-12-16;/h1-9,16,19H,10-14H2;1H
InChIKey
JNZNEIHBHCKCGO-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COc1ccc(cc1)OCc1ccccc1.Cl
Isomeric Smiles
N1CC(COc2ccc(OCc3ccccc3)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.1558497
LogD (pH = 7.4)
0.0027602073
Log P
3.0837233
Molar Refractivity
83.8716
Polarizability
33.138176
Polar Surface Area
30.49
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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