Molecule

ID:71259

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)13-21-17-11-12-19-18(20-17)22-14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKey
UYMTZUCWZADKHO-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)COc1ccnc(n1)OCc1ccccc1
Isomeric Smiles
n1c(nccc1OCc1ccccc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4563513
LogD (pH = 7.4)
4.4565797
Log P
4.4565825
Molar Refractivity
85.1334
Polarizability
32.770424
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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