Molecule

ID:34593

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKey
LOAHXFVORLJMML-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)CC#N)C
Isomeric Smiles
N#CCC(=O)NC(C)C
Calculated Properties
JChem
Acid pKa
9.773978
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.08307245
LogD (pH = 7.4)
-0.084674925
Log P
-0.08305197
Molar Refractivity
33.8534
Polarizability
12.856862
Polar Surface Area
52.89
Rotatable Bonds
2
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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