Molecule
ID:67259
General Information
Molecular Formula
C₅H₅N₃O₃
Molecular Mass
155.1115
Exact Mass
155.03309104
Charge
0
InChI
InChI=1S/C5H5N3O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H3,6,7,9)
InChIKey
ZPJIDQYWANWLCL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(cc1N)O
Isomeric Smiles
c1(cc(c(cn1)[N+](=O)[O-])N)O
Calculated Properties
JChem
Acid pKa
9.169607
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.8073743
LogD (pH = 7.4)
0.8003034
Log P
0.80752385
Molar Refractivity
37.2164
Polarizability
13.217569
Polar Surface Area
102.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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