Molecule

ID:67887

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₃
Molecular Mass
244.33056
Exact Mass
244.17869264
Charge
0
InChI
InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-5-12(16,4-7-13)6-9-14/h16H,4-9,13H2,1-3H3
InChIKey
UYDYNQSSAMMVRM-UHFFFAOYSA-N
Canonic Smiles
NCCC1(O)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)(O)CCN)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.657797
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4161732
LogD (pH = 7.4)
-2.73226
Log P
-0.40488118
Molar Refractivity
66.1176
Polarizability
26.169937
Polar Surface Area
75.79
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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