Molecule

ID:113849

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-17-8-5-3-2-4-7(8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKey
PEYOYDLJJVRUQB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1C(=O)CC(=O)NC1=O
Isomeric Smiles
N1(C(=O)NC(=O)CC1=O)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
3.6240819
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3936243
LogD (pH = 7.4)
-2.63117
Log P
0.45292017
Molar Refractivity
57.1123
Polarizability
22.05872
Polar Surface Area
75.71
Rotatable Bonds
2
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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