Molecule

ID:89019

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)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKey
DIRUVVRMWMDZAE-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC1CCCCN1
Isomeric Smiles
N1CCCCC1CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.338546
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7749143
LogD (pH = 7.4)
-0.7649682
Log P
1.4123683
Molar Refractivity
59.3284
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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