Molecule

ID:29295

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-14(2)13-21-17-10-8-16(9-11-17)19-12-15-6-4-5-7-18(15)20-3/h4-11,14,19H,12-13H2,1-3H3
InChIKey
BKVZIHCZGQCULT-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNc1ccc(cc1)OCC(C)C
Isomeric Smiles
c1(CNc2ccc(OCC(C)C)cc2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0117936
LogD (pH = 7.4)
4.0982356
Log P
4.0994577
Molar Refractivity
87.535
Polarizability
33.479137
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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