Molecule
ID:24404
General Information
Molecular Formula
C₆H₁₄N₂O₂
Molecular Mass
146.18756
Exact Mass
146.1055277
Charge
0
InChI
InChI=1S/C6H14N2O2/c1-10-5-4-8-3-2-6(7)9/h8H,2-5H2,1H3,(H2,7,9)
InChIKey
BRHFAFOJMGXZSK-UHFFFAOYSA-N
Canonic Smiles
COCCNCCC(=O)N
Isomeric Smiles
C(=O)(CCNCCOC)N
Calculated Properties
JChem
Acid pKa
16.628609
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.4031644
LogD (pH = 7.4)
-2.9892054
Log P
-1.3318006
Molar Refractivity
38.3431
Polarizability
15.233851
Polar Surface Area
64.35
Rotatable Bonds
6
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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