Molecule
ID:21869
General Information
Molecular Formula
C₄H₁₀N₂O₂
Molecular Mass
118.1344
Exact Mass
118.07422757
Charge
0
InChI
InChI=1S/C4H10N2O2/c1-3(8-2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
InChIKey
SGCSGQGGDRALGC-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)NN)OC
Isomeric Smiles
C(=O)(NN)C(OC)C
Calculated Properties
JChem
Acid pKa
12.546097
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9343393
LogD (pH = 7.4)
-0.93215233
Log P
-0.93212134
Molar Refractivity
29.8973
Polarizability
11.485321
Polar Surface Area
64.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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