Molecule

ID:22792

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-13(2)9-10-23-17-6-4-5-15(11-17)19(22)21-18-12-16(20)8-7-14(18)3/h4-8,11-13H,9-10,20H2,1-3H3,(H,21,22)
InChIKey
QLPMNGRPEAWBPG-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)C(=O)Nc1cc(N)ccc1C)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)c1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
Acid pKa
12.85446
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1821003
LogD (pH = 7.4)
4.2026033
Log P
4.2028728
Molar Refractivity
96.2185
Polarizability
35.72972
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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