Molecule

ID:68015

General Information
Structure
MolImage
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(4)9-6-5-7-12-8-9/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
RTXNDTNDOHQMTI-VIFPVBQESA-N
Canonic Smiles
O=C(N([C@H]1CCCNC1)C)OC(C)(C)C
Isomeric Smiles
C(=O)(N([C@@H]1CNCCC1)C)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9837354
LogD (pH = 7.4)
-0.9009672
Log P
1.1914757
Molar Refractivity
59.6241
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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