Molecule

ID:29396

General Information
Structure
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-15-5-3-4-6-16(15)11-12-19-17-7-9-18(10-8-17)21-14-13-20-2/h3-10,19H,11-14H2,1-2H3
InChIKey
INTOYRSGMPPMRV-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)NCCc1ccccc1C
Isomeric Smiles
c1(c(C)cccc1)CCNc1ccc(cc1)OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2399104
LogD (pH = 7.4)
3.7550657
Log P
3.767933
Molar Refractivity
88.1673
Polarizability
33.34091
Polar Surface Area
30.49
Rotatable Bonds
8
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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