Molecule

ID:22802

General Information
Structure
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-4-13(2)15-7-5-6-8-17(15)24-12-19(22)21-16-11-14(20)9-10-18(16)23-3/h5-11,13H,4,12,20H2,1-3H3,(H,21,22)
InChIKey
AOYDPGYHYNRGOC-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCC(=O)Nc1cc(N)ccc1OC)C
Isomeric Smiles
c1(NC(=O)COc2c(C(CC)C)cccc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.566092
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.3830726
LogD (pH = 7.4)
3.4301765
Log P
3.4308403
Molar Refractivity
96.8385
Polarizability
36.424126
Polar Surface Area
73.58
Rotatable Bonds
7
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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