Molecule

ID:22881

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-3-4-7-12-24-17-9-6-5-8-15(17)19(22)21-16-13-14(20)10-11-18(16)23-2/h5-6,8-11,13H,3-4,7,12,20H2,1-2H3,(H,21,22)
InChIKey
PQNXZLVDNHWBCB-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(c1c(OCCCCC)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.632025
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.6431997
LogD (pH = 7.4)
3.6886897
Log P
3.6893299
Molar Refractivity
97.6929
Polarizability
36.478386
Polar Surface Area
73.58
Rotatable Bonds
8
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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