Molecule

ID:27520

General Information
Structure
Molecular Formula
C₁₉H₂₁NO₂
Molecular Mass
295.37554
Exact Mass
295.15722892
Charge
0
InChI
InChI=1S/C19H21NO2/c1-13(21)15-6-5-7-17(12-15)20-18(22)14-8-10-16(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKey
YVRSOYOPLSUWNX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)C)ccc1)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
11.063316
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1678333
LogD (pH = 7.4)
4.1677446
Log P
4.1678343
Molar Refractivity
90.6602
Polarizability
33.967587
Polar Surface Area
46.17
Rotatable Bonds
4
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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