Molecule

ID:22871

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-3-4-5-12-24-16-9-6-14(7-10-16)19(22)21-17-13-15(20)8-11-18(17)23-2/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22)
InChIKey
RPUXYYSLWSCANI-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCCCC
Calculated Properties
JChem
Acid pKa
12.22985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.645726
LogD (pH = 7.4)
3.6887455
Log P
3.6893299
Molar Refractivity
97.6929
Polarizability
36.475716
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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