Molecule

ID:27339

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂O
Molecular Mass
88.10842
Exact Mass
88.06366289
Charge
0
InChI
InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKey
DXGIRFAFSFKYCF-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)NN
Isomeric Smiles
C(=O)(NN)CC
Calculated Properties
JChem
Acid pKa
13.287114
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6287844
LogD (pH = 7.4)
-0.62626106
Log P
-0.62622815
Molar Refractivity
23.5769
Polarizability
8.916528
Polar Surface Area
55.12
Rotatable Bonds
1
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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