Molecule

ID:29484

General Information
Structure
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-3-15-8-10-17(11-9-15)21-13-12-19-16-6-5-7-18(14-16)20-4-2/h5-11,14,19H,3-4,12-13H2,1-2H3
InChIKey
VGFWWSNOJUSBLQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCOc1ccc(cc1)CC
Isomeric Smiles
c1c(NCCOc2ccc(cc2)CC)cccc1OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.240241
LogD (pH = 7.4)
4.247112
Log P
4.2472005
Molar Refractivity
87.658
Polarizability
33.404408
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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