Molecule
ID:122823
General Information
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-10-4-11(2)7-13(5-10)12(3,9(15)16)14(6-10)8-11/h4-8H2,1-3H3,(H,15,16)
InChIKey
PFTYSEDXGXGBST-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(C)N2CC3(CN1CC(C2)(C3)C)C
Isomeric Smiles
C1(N2CC3(CN1CC(C2)(C3)C)C)(C(=O)O)C
Calculated Properties
JChem
Acid pKa
-1.1353811
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3117039
LogD (pH = 7.4)
-1.4302208
Log P
-1.302418
Molar Refractivity
60.9096
Polarizability
24.217825
Polar Surface Area
43.78
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
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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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