Molecule

ID:129134

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₆
Molecular Mass
166.08954
Exact Mass
166.02258592
Charge
0
InChI
InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3
InChIKey
PSXCGTLGGVDWFU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)OCC(O[N+](=O)[O-])C
Isomeric Smiles
O=[N+]([O-])OC(C)CO[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.0577991
LogD (pH = 7.4)
1.0577991
Log P
1.0577991
Molar Refractivity
32.3604
Polarizability
12.005412
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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