Molecule

ID:77802

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-11-4-8(11)5-12-6-11/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKey
UIYMGRQQGQOESZ-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC12CNCC2C1
Isomeric Smiles
N1CC2C(C2)(C1)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.527853
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7208269
LogD (pH = 7.4)
-2.477589
Log P
0.51701534
Molar Refractivity
57.4777
Polarizability
22.96912
Polar Surface Area
50.36
Rotatable Bonds
4
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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