Molecule

ID:29013

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-14(21-18-12-8-7-11-17(18)20-3)13-19-15(2)16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3
InChIKey
GOELAECIDCMZCB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(CNC(c1ccccc1)C)C
Isomeric Smiles
c1(OC(CNC(c2ccccc2)C)C)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.68758357
LogD (pH = 7.4)
1.8290628
Log P
3.851123
Molar Refractivity
85.159
Polarizability
33.879948
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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