Molecule

ID:66768

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-4-1-2-5(6-3-4)7(9)10/h1-3,8H
InChIKey
LJFLBSBHQDJFQT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(nc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cn1)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
6.436974
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9400635
LogD (pH = 7.4)
0.060176935
Log P
0.9864498
Molar Refractivity
32.516
Polarizability
12.049287
Polar Surface Area
76.26
Rotatable Bonds
1
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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