Molecule

ID:71258

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-3-7-15(8-4-1)12-21-17-11-18(20-14-19-17)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKey
WFHVBLJSKBEUKF-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)COc1ncnc(c1)OCc1ccccc1
Isomeric Smiles
n1c(cc(nc1)OCc1ccccc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.371907
LogD (pH = 7.4)
4.37225
Log P
4.3722544
Molar Refractivity
85.5009
Polarizability
32.76398
Polar Surface Area
44.24
Rotatable Bonds
6
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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