Molecule

ID:24884

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃O₄
Molecular Mass
157.08432
Exact Mass
157.01235559
Charge
0
InChI
InChI=1S/C4H3N3O4/c8-4(9)2-1-3(6-5-2)7(10)11/h1H,(H,5,6)(H,8,9)
InChIKey
HKYHBMLIEAMWRO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1[nH]nc(c1)C(=O)O
Isomeric Smiles
[nH]1nc(cc1[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
3.4133284
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.6853594
LogD (pH = 7.4)
-3.0098848
Log P
0.38945556
Molar Refractivity
33.5131
Polarizability
11.753063
Polar Surface Area
109.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation