Molecule

ID:76964

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₃
Molecular Mass
284.30984
Exact Mass
284.11609238
Charge
0
InChI
InChI=1S/C16H16N2O3/c17-12-6-7-15-14(10-12)18(16(19)11-21-15)8-9-20-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKey
AYYCSKUNVLBTKH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)N(CCOc1ccccc1)C(=O)CO2
Isomeric Smiles
N1(c2cc(ccc2OCC1=O)N)CCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.393595
LogD (pH = 7.4)
1.4332733
Log P
1.4338037
Molar Refractivity
79.1936
Polarizability
30.251982
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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