Molecule
ID:22784
General Information
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-12(2)15-6-9-17(10-7-15)23-14(4)19(22)21-18-11-16(20)8-5-13(18)3/h5-12,14H,20H2,1-4H3,(H,21,22)
InChIKey
WBRYDQGMUSPGLF-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)C(C)C)C)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)C(Oc1ccc(cc1)C(C)C)C
Calculated Properties
JChem
Acid pKa
12.7783375
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1999283
LogD (pH = 7.4)
4.2257867
Log P
4.2261286
Molar Refractivity
95.3094
Polarizability
35.675262
Polar Surface Area
64.35
Rotatable Bonds
5
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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