Molecule

ID:87007

General Information
Structure
Molecular Formula
C₄H₅N₃O₃
Molecular Mass
143.1008
Exact Mass
143.03309104
Charge
0
InChI
InChI=1S/C4H5N3O3/c1-2-3(7(8)9)4(5)10-6-2/h5H2,1H3
InChIKey
NRYUCAPNMJIWFE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(N)onc1C
Isomeric Smiles
n1c(c(c(o1)N)[N+](=O)[O-])C
Calculated Properties
JChem
Acid pKa
11.235715
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.31949627
LogD (pH = 7.4)
0.31945083
Log P
0.31951064
Molar Refractivity
33.3699
Polarizability
11.365854
Polar Surface Area
97.87
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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