Molecule

ID:66855

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKey
DXJOJUNLMJMJSN-UHFFFAOYSA-N
Canonic Smiles
CCC1NCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(NCC1)CC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.96125734
LogD (pH = 7.4)
0.77260107
Log P
1.4934837
Molar Refractivity
59.3867
Polarizability
23.692034
Polar Surface Area
41.57
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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