Molecule
ID:121788
General Information
Molecular Formula
C₄H₁₀N₂O₂
Molecular Mass
118.1344
Exact Mass
118.07422757
Charge
0
InChI
InChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3
InChIKey
GETVBTMFGVOGRW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNN
Isomeric Smiles
C(=O)(CNN)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.909308
LogD (pH = 7.4)
-0.8305318
Log P
-0.829429
Molar Refractivity
40.498
Polarizability
11.758041
Polar Surface Area
64.35
Rotatable Bonds
4
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
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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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