Molecule

ID:71544

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₃
Molecular Mass
296.32054
Exact Mass
296.11609238
Charge
0
InChI
InChI=1S/C17H16N2O3/c1-2-22-13-9-7-12(8-10-13)18-11-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,18H,2,11H2,1H3
InChIKey
UFTIHDWDIDPBGV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2C(=O)N(C(=O)c2c1)CNc1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
18.809366
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4917557
LogD (pH = 7.4)
2.5007203
Log P
2.5008357
Molar Refractivity
84.5156
Polarizability
31.068771
Polar Surface Area
58.64
Rotatable Bonds
5
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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