Molecule

ID:69707

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₃
Molecular Mass
155.1115
Exact Mass
155.03309104
Charge
0
InChI
InChI=1S/C5H5N3O3/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
InChIKey
ZPUHFIFABZPKHA-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(ncc(cn1)[N+](=O)[O-])OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.5108344
LogD (pH = 7.4)
0.5108344
Log P
0.5108344
Molar Refractivity
35.452
Polarizability
13.122921
Polar Surface Area
78.15
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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