Molecule

ID:64079

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-9(13)6-12-5-8/h8-9,12H,4-7H2,1-3H3
InChIKey
CSQBUSQTOWHXLW-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2CC1CNC2)OC(C)(C)C
Isomeric Smiles
C12CN(C(CNC1)C2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4920754
LogD (pH = 7.4)
-1.3920552
Log P
0.6799037
Molar Refractivity
57.6643
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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