Molecule

ID:127342

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₂O₆
Molecular Mass
152.06296
Exact Mass
152.00693586
Charge
0
InChI
InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2
InChIKey
UQXKXGWGFRWILX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)OCCO[N+](=O)[O-]
Isomeric Smiles
C(CO[N+](=O)[O-])O[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
0.641224
LogD (pH = 7.4)
0.641224
Log P
0.641224
Molar Refractivity
27.9416
Polarizability
10.259114
Polar Surface Area
110.1
Rotatable Bonds
5
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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