Molecule

ID:34474

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c1-3-5-6-7-8(3)2-4(9)10/h2H2,1H3,(H,9,10)
InChIKey
QMGRTPHVXPNNBK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nnnc1C
Isomeric Smiles
n1(nnnc1C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.1338193
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.3856425
LogD (pH = 7.4)
-4.50265
Log P
-1.0462402
Molar Refractivity
44.0599
Polarizability
11.598527
Polar Surface Area
80.9
Rotatable Bonds
2
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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