Molecule

ID:68191

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)11(13)6-4-8(12)5-7-11/h8H,4-7,12-13H2,1-3H3
InChIKey
PUYJCTMGNZGOTF-UHFFFAOYSA-N
Canonic Smiles
NC1CCC(CC1)(N)C(=O)OC(C)(C)C
Isomeric Smiles
C1(CCC(CC1)N)(N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.5823736
LogD (pH = 7.4)
-2.6282458
Log P
0.5861955
Molar Refractivity
58.9591
Polarizability
24.078953
Polar Surface Area
78.34
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
No Data Available
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Molecule Details
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References
Bioactivity
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