Molecule

ID:23141

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈N₂O₂
Molecular Mass
318.36912
Exact Mass
318.13682783
Charge
0
InChI
InChI=1S/C20H18N2O2/c21-17-8-10-18(11-9-17)22-20(23)14-24-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14,21H2,(H,22,23)
InChIKey
YPGRYMYPDGBMGO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)COc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
12.792633
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5374587
LogD (pH = 7.4)
3.5460467
Log P
3.5461593
Molar Refractivity
96.7197
Polarizability
37.613228
Polar Surface Area
64.35
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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