Molecule

ID:7864

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₄O₂
Molecular Mass
132.12122
Exact Mass
132.06472552
Charge
0
InChI
InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)
InChIKey
PSIKPHJLTVSQFO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CC(=O)NN
Isomeric Smiles
C(=O)(CC(=O)NN)NN
Calculated Properties
JChem
Acid pKa
11.924015
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.5410616
LogD (pH = 7.4)
-2.5380056
Log P
-2.5379539
Molar Refractivity
31.6004
Polarizability
11.675339
Polar Surface Area
110.24
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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