Molecule
ID:104088
General Information
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCCCC(=O)N
Isomeric Smiles
NC(=O)CCCCC(=O)N
Calculated Properties
JChem
Acid pKa
16.139057
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1232309
LogD (pH = 7.4)
-1.1232308
Log P
-1.1232308
Molar Refractivity
36.3834
Polarizability
14.254132
Polar Surface Area
86.18
Rotatable Bonds
5
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
No Data Available
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Molecule Details
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References
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Bioactivity
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Irritant (Xi)