Molecule
ID:29993
General Information
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-8-14-11(10-5-3-4-6-12(10)16-14)7-13(15(19)20)17(8)9(2)18/h3-6,8,13,16H,7H2,1-2H3,(H,19,20)
InChIKey
OSXCHCJGSVTSSB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2c(C(N1C(=O)C)C)[nH]c1c2cccc1
Isomeric Smiles
c12c(CC(N(C2C)C(=O)C)C(=O)O)c2c([nH]1)cccc2
Calculated Properties
JChem
Acid pKa
4.061928
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.14342344
LogD (pH = 7.4)
-1.8157783
Log P
1.3067032
Molar Refractivity
73.3942
Polarizability
29.402948
Polar Surface Area
73.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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