Molecule

ID:67374

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₂
Molecular Mass
226.31528
Exact Mass
226.16812795
Charge
0
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKey
UUHPKKKRSZBQIG-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CC2CCC(C1)N2
Isomeric Smiles
C(=O)(NC1CC2CCC(C1)N2)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.215714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2040112
LogD (pH = 7.4)
-2.054508
Log P
1.0357283
Molar Refractivity
61.8296
Polarizability
24.80672
Polar Surface Area
50.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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