Molecule

ID:11208

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₂
Molecular Mass
217.2637
Exact Mass
217.11027873
Charge
0
InChI
InChI=1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
InChIKey
WKNQLAHUYDYUNM-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCc1ccco1
Isomeric Smiles
c1(CNCc2ccccc2OC)ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.33516815
LogD (pH = 7.4)
1.8896686
Log P
2.1586432
Molar Refractivity
62.7727
Polarizability
24.508245
Polar Surface Area
34.4
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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