Molecule

ID:23531

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-4-19(2,3)14-5-11-17(12-6-14)23-13-18(22)21-16-9-7-15(20)8-10-16/h5-12H,4,13,20H2,1-3H3,(H,21,22)
InChIKey
ASCJIEIWHQGCOU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC(=O)Nc1ccc(cc1)N)(C)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1ccc(C(CC)(C)C)cc1
Calculated Properties
JChem
Acid pKa
12.792633
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.8796804
LogD (pH = 7.4)
3.888444
Log P
3.8885586
Molar Refractivity
94.8504
Polarizability
35.751987
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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