Molecule
ID:11161
General Information
Molecular Formula
C₂₀H₂₀N₂O₂
Molecular Mass
320.385
Exact Mass
320.15247789
Charge
0
InChI
InChI=1S/C20H20N2O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-11,15,21,23H,12-14H2
InChIKey
PWDXMUGOYSJNDS-UHFFFAOYSA-N
Canonic Smiles
OC(Cn1c2ccccc2c2c1cccc2)CNCc1ccco1
Isomeric Smiles
n1(c2c(c3c1cccc3)cccc2)CC(O)CNCc1occc1
Calculated Properties
JChem
Acid pKa
14.4324045
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6838352
LogD (pH = 7.4)
2.416083
Log P
3.1045432
Molar Refractivity
94.0593
Polarizability
39.011307
Polar Surface Area
50.33
Rotatable Bonds
6
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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