Molecule

ID:34642

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-10-5-4-7-13-9-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKey
XQIKKZRRQGXGHF-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCC1CCCNC1
Isomeric Smiles
C1CNCC(C1)CCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.092075
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8112794
LogD (pH = 7.4)
-1.244364
Log P
1.4155661
Molar Refractivity
64.3672
Polarizability
25.531202
Polar Surface Area
50.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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