Molecule

ID:77020

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₃
Molecular Mass
284.30984
Exact Mass
284.11609238
Charge
0
InChI
InChI=1S/C16H16N2O3/c17-13-7-4-8-14-16(13)21-11-15(19)18(14)9-10-20-12-5-2-1-3-6-12/h1-8H,9-11,17H2
InChIKey
JBOVMACDQQBLHJ-UHFFFAOYSA-N
Canonic Smiles
O=C1COc2c(N1CCOc1ccccc1)cccc2N
Isomeric Smiles
N1(c2cccc(c2OCC1=O)N)CCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4249011
LogD (pH = 7.4)
1.4336904
Log P
1.4338037
Molar Refractivity
79.1936
Polarizability
30.254078
Polar Surface Area
64.79
Rotatable Bonds
4
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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