Molecule

ID:43483

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₃
Molecular Mass
143.1008
Exact Mass
143.03309104
Charge
0
InChI
InChI=1S/C4H5N3O3/c8-2-3-1-4(6-5-3)7(9)10/h1,8H,2H2,(H,5,6)
InChIKey
KXBNQNCHAUDZRL-UHFFFAOYSA-N
Canonic Smiles
OCc1n[nH]c(c1)[N+](=O)[O-]
Isomeric Smiles
c1([N+](=O)[O-])cc(n[nH]1)CO
Calculated Properties
JChem
Acid pKa
5.8936124
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.52227354
LogD (pH = 7.4)
-1.6473482
Log P
-0.37917286
Molar Refractivity
32.6171
Polarizability
11.702864
Polar Surface Area
94.73
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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