Molecule

ID:78988

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-2-3-5-4-6(9)8-7-5/h2-4H2,1H3,(H,8,9)
InChIKey
GVUNLYBSNQOHBD-UHFFFAOYSA-N
Canonic Smiles
CCCC1=NNC(=O)C1
Isomeric Smiles
N1=C(CC(=O)N1)CCC
Calculated Properties
JChem
Acid pKa
11.763256
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.79009724
LogD (pH = 7.4)
0.7901528
Log P
0.7901706
Molar Refractivity
34.0461
Polarizability
13.006877
Polar Surface Area
41.46
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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