Molecule

ID:42923

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-2-15-11(14)10-4-8-13(9-5-10)7-3-6-12/h10H,2-9,12H2,1H3
InChIKey
POQYLKMTBDPINH-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCC(CC1)C(=O)OCC
Isomeric Smiles
C(=O)(C1CCN(CC1)CCCN)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.227055
LogD (pH = 7.4)
-3.0734427
Log P
0.028958052
Molar Refractivity
60.7029
Polarizability
24.078953
Polar Surface Area
55.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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