Molecule

ID:15768

General Information
Structure
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKey
VHYXAWLOJGIJPC-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC1CCNCC1
Isomeric Smiles
C1C(CCNC1)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.900089
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2502685
LogD (pH = 7.4)
-1.5826173
Log P
0.97099745
Molar Refractivity
59.7662
Polarizability
23.692034
Polar Surface Area
50.36
Rotatable Bonds
4
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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