Molecule

ID:131146

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₆
Molecular Mass
292.32876
Exact Mass
292.1634365
Charge
0
InChI
InChI=1S/C12H24N2O6/c13-5-3-1-2-4-8(16)14-12-11(19)10(18)9(17)7(6-15)20-12/h7,9-12,15,17-19H,1-6,13H2,(H,14,16)
InChIKey
FJNVLTLMGXYGGP-UHFFFAOYSA-N
Canonic Smiles
NCCCCCC(=O)NC1OC(CO)C(C(C1O)O)O
Isomeric Smiles
C(CCC(=O)NC1C(C(C(C(O1)CO)O)O)O)CCN
Calculated Properties
JChem
Acid pKa
11.761094
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-5.753828
LogD (pH = 7.4)
-5.3325105
Log P
-2.8655248
Molar Refractivity
69.0408
Polarizability
28.172731
Polar Surface Area
145.27
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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