Molecule

ID:70719

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₆
Molecular Mass
308.28664
Exact Mass
308.10083624
Charge
0
InChI
InChI=1S/C14H16N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6H,1-4,7-9H2
InChIKey
VLARLSIGSPVYHX-UHFFFAOYSA-N
Canonic Smiles
O=C(ON1C(=O)CCC1=O)CCCCCN1C(=O)C=CC1=O
Isomeric Smiles
C(=O)(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
17.709124
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.1498469
LogD (pH = 7.4)
-0.1498469
Log P
-0.1498469
Molar Refractivity
73.5429
Polarizability
28.35547
Polar Surface Area
101.06
Rotatable Bonds
8
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
No Data Available
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Molecule Details
References
Bioactivity
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