Molecule

ID:28700

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-14(2)21-18-7-5-4-6-17(18)19-13-12-15-8-10-16(20-3)11-9-15/h4-11,14,19H,12-13H2,1-3H3
InChIKey
MGKDNKOFLLGOOJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNc1ccccc1OC(C)C
Isomeric Smiles
c1(OC(C)C)c(NCCc2ccc(cc2)OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.748194
LogD (pH = 7.4)
3.914602
Log P
3.9171987
Molar Refractivity
87.7132
Polarizability
33.40454
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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