Molecule

ID:20971

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)14-20-16-6-8-17(9-7-16)21-18-10-12-19-13-11-18;/h1-9,18-19H,10-14H2;1H
InChIKey
MADDTOBRXDDMAP-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccc(cc1)OCc1ccccc1.Cl
Isomeric Smiles
c1ccc(cc1)COc1ccc(cc1)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18126412
LogD (pH = 7.4)
0.66305447
Log P
3.0261345
Molar Refractivity
83.7534
Polarizability
33.138012
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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