Molecule

ID:67415

General Information
Structure
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Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
InChIKey
DPBWFNDFMCCGGJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCNCC1
Isomeric Smiles
N1CCC(CC1)C(=O)N
Calculated Properties
JChem
Acid pKa
16.659435
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1526823
LogD (pH = 7.4)
-3.5682623
Log P
-0.9267104
Molar Refractivity
34.8975
Polarizability
13.794192
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
No Data Available
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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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