Molecule

ID:58317

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c1-2-3(4(9)6-5)8-10-7-2/h5H2,1H3,(H,6,9)
InChIKey
AGRMGGWFFPBODC-UHFFFAOYSA-N
Canonic Smiles
Cc1nonc1C(=O)NN
Isomeric Smiles
n1c(c(no1)C(=O)NN)C
Calculated Properties
JChem
Acid pKa
11.319374
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3668664
LogD (pH = 7.4)
-1.3665744
Log P
-1.3665239
Molar Refractivity
34.2106
Polarizability
11.709981
Polar Surface Area
94.04
Rotatable Bonds
1
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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