Molecule
ID:121236
General Information
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-7(2)4-5-8-6-9(12-11-8)10(13)14-3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey
SXRJVCPPVNDTDR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]nc(c1)CCC(C)C
Isomeric Smiles
c1([nH]nc(c1)CCC(C)C)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.962125
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2087748
LogD (pH = 7.4)
2.1975176
Log P
2.2089703
Molar Refractivity
54.6172
Polarizability
20.708927
Polar Surface Area
54.98
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
No Data Available
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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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