Molecule

ID:112285

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3
InChIKey
QUICZVHSJNKDBL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-]
Isomeric Smiles
CCOc1ccc(cc1)/N=[N+](\[O-])/c1ccc(OCC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3084161
LogD (pH = 7.4)
3.3084161
Log P
3.3084161
Molar Refractivity
83.5477
Polarizability
30.751467
Polar Surface Area
59.57
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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