Molecule

ID:35390

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-14(2)12(18)16(13(19)15-14)7-10-6-9(8-17)4-5-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,15,19)
InChIKey
PLXSGMWHOFXALV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)CN1C(=O)NC(C1=O)(C)C)OC
Isomeric Smiles
N1(C(=O)NC(C1=O)(C)C)Cc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
Acid pKa
6.886967
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0370325
LogD (pH = 7.4)
0.44086793
Log P
1.0542899
Molar Refractivity
72.8098
Polarizability
27.531206
Polar Surface Area
75.71
Rotatable Bonds
4
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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