Molecule

ID:129991

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₈
Molecular Mass
240.16808
Exact Mass
240.05936535
Charge
0
InChI
InChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2
InChIKey
AGCQZYRSTIRJFM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)OCCOCCOCCO[N+](=O)[O-]
Isomeric Smiles
C(CO[N+](=O)[O-])OCCOCCO[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
0.54727304
LogD (pH = 7.4)
0.54727304
Log P
0.54727304
Molar Refractivity
50.0286
Polarizability
18.918913
Polar Surface Area
128.56
Rotatable Bonds
11
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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