Molecule

ID:22772

General Information
Structure
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-13(2)10-11-23-18-7-5-4-6-16(18)19(22)21-17-12-15(20)9-8-14(17)3/h4-9,12-13H,10-11,20H2,1-3H3,(H,21,22)
InChIKey
SMDSBVDJCRMCBL-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccccc1C(=O)Nc1cc(N)ccc1C)C
Isomeric Smiles
C(=O)(c1c(OCCC(C)C)cccc1)Nc1cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.572602
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1807003
LogD (pH = 7.4)
4.202584
Log P
4.2028728
Molar Refractivity
96.2185
Polarizability
35.73184
Polar Surface Area
64.35
Rotatable Bonds
6
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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