Molecule

ID:68097

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8/h8-9,12H,4-7H2,1-3H3
InChIKey
PSDAEKDIOQXLLC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2CCC(C1)N2)OC(C)(C)C
Isomeric Smiles
C12CN(CC(CC1)N2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1265562
LogD (pH = 7.4)
-1.2708387
Log P
1.0797179
Molar Refractivity
57.3253
Polarizability
22.96912
Polar Surface Area
41.57
Rotatable Bonds
2
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
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References
Bioactivity
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