Molecule

ID:76308

General Information
Structure
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H21NO.ClH/c1-20-17-9-7-16(8-10-17)18(11-13-19-14-12-18)15-5-3-2-4-6-15;/h2-10,19H,11-14H2,1H3;1H
InChIKey
MGWUZDMSYPMJOA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(CCNCC1)c1ccccc1.Cl
Isomeric Smiles
N1CCC(c2ccc(cc2)OC)(c2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13310398
LogD (pH = 7.4)
0.7988202
Log P
3.3544905
Molar Refractivity
93.0067
Polarizability
32.418427
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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