Molecule

ID:119140

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₃
Molecular Mass
155.1115
Exact Mass
155.03309104
Charge
0
InChI
InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChIKey
BLQMCTXZEMGOJM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c[nH]c(=O)nc1N
Isomeric Smiles
n1c(c(c[nH]c1=O)C(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-5.14
LogD (pH = 5.5)
-4.22
Log P
-1.75
Rotatable Bonds
1
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.89
Polar Surface Area
104.78
Polarizability
12.94
Molar Refractivity
34.02
LOG S
-1.08
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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