Molecule
ID:83983
General Information
Molecular Formula
C₁₃H₁₃NO₄
Molecular Mass
247.24662
Exact Mass
247.0844579
Charge
0
InChI
InChI=1S/C13H13NO4/c1-2-18-13(17)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-6H,2,7-8H2,1H3
InChIKey
BGNSWUCREVARSU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N1C(=O)CCC1=O
Isomeric Smiles
N1(c2ccc(cc2)C(=O)OCC)C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
17.163942
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2484479
LogD (pH = 7.4)
1.2484479
Log P
1.2484479
Molar Refractivity
63.7296
Polarizability
24.53935
Polar Surface Area
63.68
Rotatable Bonds
4
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
No Data Available
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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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