Molecule

ID:74185

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-15-17(19(22)23)14-18(16-6-3-2-4-7-16)21(15)9-5-8-20-10-12-24-13-11-20/h2-4,6-7,14H,5,8-13H2,1H3,(H,22,23)
InChIKey
OZRPKALPSGYEHX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1
Isomeric Smiles
n1(CCCN2CCOCC2)c(cc(c1C)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.2366743
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.16263634
LogD (pH = 7.4)
-0.30465493
Log P
-0.1652469
Molar Refractivity
95.0921
Polarizability
37.370728
Polar Surface Area
54.7
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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