Molecule

ID:110062

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O₃
Molecular Mass
131.0901
Exact Mass
131.03309104
Charge
0
InChI
InChI=1S/C3H5N3O3/c4-3(9)6-5-1-2(7)8/h1H,(H,7,8)(H3,4,6,9)
InChIKey
QZSYGBNBQHRGKK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)N/N=C/C(=O)O
Isomeric Smiles
NC(=O)N/N=C/C(=O)O
Calculated Properties
JChem
Acid pKa
2.6248863
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.832759
LogD (pH = 7.4)
-4.5495014
Log P
-1.0440084
Molar Refractivity
27.0997
Polarizability
10.153356
Polar Surface Area
104.78
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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