Molecule

ID:19073

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₄
Molecular Mass
240.25574
Exact Mass
240.111007
Charge
0
InChI
InChI=1S/C11H16N2O4/c1-7-4-2-3-5-11(7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKey
DCTDRJMSDHXGIA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)NC2(C1=O)CCCCC2C
Isomeric Smiles
N1(C(=O)NC2(C1=O)C(C)CCCC2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.8404348
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.019324
LogD (pH = 7.4)
-2.599555
Log P
0.6438294
Molar Refractivity
57.553
Polarizability
22.60945
Polar Surface Area
86.71
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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