Molecule

ID:20699

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₂
Molecular Mass
319.82578
Exact Mass
319.13390663
Charge
0
InChI
InChI=1S/C18H21NO2.ClH/c1-2-6-17(7-3-1)21-18-10-8-16(9-11-18)20-14-15-5-4-12-19-13-15;/h1-3,6-11,15,19H,4-5,12-14H2;1H
InChIKey
MXKCDYBBCCFEFX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1ccc(cc1)Oc1ccccc1.Cl
Isomeric Smiles
N1CC(COc2ccc(Oc3ccccc3)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.23989019
LogD (pH = 7.4)
0.8974774
Log P
3.4617774
Molar Refractivity
83.6376
Polarizability
33.201122
Polar Surface Area
30.49
Rotatable Bonds
5
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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