Molecule

ID:20786

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO₂
Molecular Mass
283.36484
Exact Mass
283.15722892
Charge
0
InChI
InChI=1S/C18H21NO2/c1-2-4-17(5-3-1)21-18-8-6-16(7-9-18)20-14-15-10-12-19-13-11-15/h1-9,15,19H,10-14H2
InChIKey
YSCXMANXVZECOG-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
N1CCC(COc2ccc(Oc3ccccc3)cc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.1887998
LogD (pH = 7.4)
0.6495706
Log P
3.4202206
Molar Refractivity
83.7364
Polarizability
33.201122
Polar Surface Area
30.49
Rotatable Bonds
5
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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