Molecule

ID:116169

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₉N₃O
Molecular Mass
341.40576
Exact Mass
341.15281224
Charge
0
InChI
InChI=1S/C22H19N3O/c1-25-22(21(15-24-25)18-11-13-23-14-12-18)19-7-9-20(10-8-19)26-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKey
ZDLDRFDLZNDFRP-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1c1ccc(cc1)OCc1ccccc1)c1ccncc1
Isomeric Smiles
c1(c(n(nc1)C)c1ccc(OCc2ccccc2)cc1)c1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9397137
LogD (pH = 7.4)
3.9643614
Log P
3.964687
Molar Refractivity
114.0302
Polarizability
42.144836
Polar Surface Area
39.94
Rotatable Bonds
5
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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