Molecule

ID:52639

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(8-13)6-12-7-11/h12H,4-8H2,1-3H3
InChIKey
BGUYAMZPJMTFRU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(C1)CNC2)OC(C)(C)C
Isomeric Smiles
C1NCC21CN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.70131
LogD (pH = 7.4)
-2.064614
Log P
0.52181906
Molar Refractivity
57.8194
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
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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