Molecule

ID:35399

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9,13H2,1-3H3
InChIKey
LBQDLHPFISVBRU-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)CCN)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8951074
LogD (pH = 7.4)
-1.4703282
Log P
1.1287081
Molar Refractivity
64.5663
Polarizability
25.531202
Polar Surface Area
55.56
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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