Molecule

ID:27341

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂O₂
Molecular Mass
104.10782
Exact Mass
104.05857751
Charge
0
InChI
InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKey
XEPXDMNZXBUSOI-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)NN
Isomeric Smiles
C(=O)(NN)COC
Calculated Properties
JChem
Acid pKa
12.440859
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.503136
LogD (pH = 7.4)
-1.5009179
Log P
-1.5008856
Molar Refractivity
25.4034
Polarizability
9.667854
Polar Surface Area
64.35
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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