Molecule

ID:107257

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₈
Molecular Mass
278.21606
Exact Mass
278.07501542
Charge
0
InChI
InChI=1S/C9H14N2O8/c1-18-7(12)3-5-9(10(14)15,11(16)17)6-4-8(13)19-2/h3-6H2,1-2H3
InChIKey
HOIDOAUGWVNMMM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])CCC(=O)OC
Isomeric Smiles
COC(=O)CCC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
0.26942906
LogD (pH = 7.4)
0.26942906
Log P
0.26942906
Molar Refractivity
58.8884
Polarizability
23.107883
Polar Surface Area
144.24
Rotatable Bonds
10
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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