Molecule

ID:36240

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₃
Molecular Mass
240.2988
Exact Mass
240.14739251
Charge
0
InChI
InChI=1S/C12H20N2O3/c1-12(2)8(9(12)11(16)17)10(15)14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKey
GLHLANDNHFLRCK-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(CC1)C)(C)C
Calculated Properties
JChem
Acid pKa
4.2405066
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5919933
LogD (pH = 7.4)
-3.0634685
Log P
-2.6070771
Molar Refractivity
62.9722
Polarizability
24.665415
Polar Surface Area
60.85
Rotatable Bonds
2
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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