Molecule

ID:88140

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₇
Molecular Mass
256.16902
Exact Mass
256.03315061
Charge
0
InChI
InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2
InChIKey
PFYXSUNOLOJMDX-UHFFFAOYSA-N
Canonic Smiles
O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
Isomeric Smiles
N1(OC(=O)ON2C(=O)CCC2=O)C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
17.328205
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-1.0107778
LogD (pH = 7.4)
-1.0107778
Log P
-1.0107778
Molar Refractivity
50.6058
Polarizability
20.371552
Polar Surface Area
110.29
Rotatable Bonds
4
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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