Molecule
ID:80882
General Information
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-4-6(2,3)8-5(7)9/h1H,2-3H3,(H3,7,8,9)
InChIKey
DWSYINQJVVITME-UHFFFAOYSA-N
Canonic Smiles
C#CC(NC(=O)N)(C)C
Isomeric Smiles
N(C(=O)N)C(C#C)(C)C
Calculated Properties
JChem
Acid pKa
14.877439
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.21492307
LogD (pH = 7.4)
-0.21492307
Log P
-0.21492305
Molar Refractivity
34.6765
Polarizability
13.045392
Polar Surface Area
55.12
Rotatable Bonds
1
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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