Molecule

ID:41419

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₂
Molecular Mass
118.1344
Exact Mass
118.07422757
Charge
0
InChI
InChI=1S/C4H10N2O2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKey
IHCDQQHNHQCALV-UHFFFAOYSA-N
Canonic Smiles
COCCNC(=O)N
Isomeric Smiles
C(=O)(NCCOC)N
Calculated Properties
JChem
Acid pKa
15.352772
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1871333
LogD (pH = 7.4)
-1.1871333
Log P
-1.1871333
Molar Refractivity
29.0828
Polarizability
11.215801
Polar Surface Area
64.35
Rotatable Bonds
3
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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