Molecule
ID:24349
General Information
Molecular Formula
C₁₀H₂₂N₂O
Molecular Mass
186.29448
Exact Mass
186.17321333
Charge
0
InChI
InChI=1S/C10H22N2O/c1-2-3-4-5-6-8-12-9-7-10(11)13/h12H,2-9H2,1H3,(H2,11,13)
InChIKey
UAYQLUXAVMTLAJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCCC(=O)N
Isomeric Smiles
C(=O)(CCNCCCCCCC)N
Calculated Properties
JChem
Acid pKa
16.77478
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8389428
LogD (pH = 7.4)
-1.0418085
Log P
1.37278
Molar Refractivity
54.9762
Polarizability
21.883293
Polar Surface Area
55.12
Rotatable Bonds
9
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
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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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