Molecule

ID:91504

General Information
Structure
Molecular Formula
C₁₉H₂₀N₂O₃
Molecular Mass
324.3737
Exact Mass
324.14739251
Charge
0
InChI
InChI=1S/C19H20N2O3/c1-22-17-10-14(11-18(23-2)19(17)24-3)9-15(12-20)13-21-16-7-5-4-6-8-16/h4-8,10-11,13,21H,9H2,1-3H3
InChIKey
LMGNGGBSQVPQCO-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\Nc1ccccc1)/Cc1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
N#C/C(=C\Nc1ccccc1)/Cc1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
Acid pKa
17.366505
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.1023614
LogD (pH = 7.4)
3.1023617
Log P
3.1023617
Molar Refractivity
94.6816
Polarizability
35.57958
Polar Surface Area
63.51
Rotatable Bonds
7
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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