Molecule

ID:23581

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O₄
Molecular Mass
326.34652
Exact Mass
326.12665707
Charge
0
InChI
InChI=1S/C18H18N2O4/c1-20(15-8-3-2-4-9-15)18(24)13-6-5-7-14(12-13)19-16(21)10-11-17(22)23/h2-9,12H,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKey
QITCFIVYYVAMNI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)Nc1cccc(c1)C(=O)N(c1ccccc1)C
Isomeric Smiles
C(=O)(N(c1ccccc1)C)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.6920533
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.18528582
LogD (pH = 7.4)
-1.3168879
Log P
1.9917698
Molar Refractivity
90.4637
Polarizability
33.86777
Polar Surface Area
86.71
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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