Molecule
ID:121823
General Information
Molecular Formula
C₂₀H₁₈N₂O₃
Molecular Mass
334.36852
Exact Mass
334.13174245
Charge
0
InChI
InChI=1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3
InChIKey
UJOQSHCJYVRZKJ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)cccc2)CC
Isomeric Smiles
c1(c2nc3c(o2)cccc3)c(=O)oc2c(c1)ccc(c2)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9773164
LogD (pH = 7.4)
3.9970145
Log P
3.9972715
Molar Refractivity
96.0688
Polarizability
37.37115
Polar Surface Area
55.57
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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