Molecule

ID:34378

General Information
Structure
MolImage
Molecular Formula
C₅H₃N₃O₆
Molecular Mass
201.09382
Exact Mass
201.00218483
Charge
0
InChI
InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)
InChIKey
OPGJGRWULGFTOS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
Isomeric Smiles
c1(=O)[nH]c(=O)[nH]c(c1[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
1.3458878
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-4.910294
LogD (pH = 7.4)
-5.5748057
Log P
-1.4573762
Molar Refractivity
38.5641
Polarizability
14.426369
Polar Surface Area
138.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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