Molecule

ID:37916

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₄O₅
Molecular Mass
216.15152
Exact Mass
216.04946938
Charge
0
InChI
InChI=1S/C6H8N4O5/c1-4-5(9(11)12)7-8(3-15-2)6(4)10(13)14/h3H2,1-2H3
InChIKey
GHESLFLQVFHCBO-UHFFFAOYSA-N
Canonic Smiles
COCn1nc(c(c1[N+](=O)[O-])C)[N+](=O)[O-]
Isomeric Smiles
c1(c(c(nn1COC)[N+](=O)[O-])C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.5413696
LogD (pH = 7.4)
1.5413696
Log P
1.5413696
Molar Refractivity
60.0718
Polarizability
17.428768
Polar Surface Area
118.69
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
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References
Bioactivity
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