Molecule

ID:76120

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₃
Molecular Mass
244.33056
Exact Mass
244.17869264
Charge
0
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-5-13(7-8-14)9-10-15/h15H,4-10H2,1-3H3
InChIKey
AOVWADYIVQEBHV-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCO)CCN(C(=O)OC(C)(C)C)CCC1
Calculated Properties
JChem
Acid pKa
15.593172
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9043458
LogD (pH = 7.4)
-0.1903163
Log P
0.3072919
Molar Refractivity
66.8963
Polarizability
26.169937
Polar Surface Area
53.01
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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