Molecule
ID:79990
General Information
Molecular Formula
C₄H₆N₂O₄
Molecular Mass
146.10144
Exact Mass
146.03275668
Charge
0
InChI
InChI=1S/C4H6N2O4/c7-3-1(5-9)2(6-10)4(3)8/h3-4,7-10H
InChIKey
AMKYEGANWAQCJT-UHFFFAOYSA-N
Canonic Smiles
O/N=C\1/C(O)C(/C1=N/O)O
Isomeric Smiles
N(=C\1/C(=N\O)/C(C1O)O)/O
Calculated Properties
JChem
Acid pKa
7.793861
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.9698422
LogD (pH = 7.4)
-1.1143951
Log P
-0.9676494
Molar Refractivity
30.1102
Polarizability
11.734981
Polar Surface Area
105.64
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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