Molecule

ID:111210

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂O₄
Molecular Mass
262.34584
Exact Mass
262.18925732
Charge
0
InChI
InChI=1S/C6H16N2.C6H10O4/c7-5-3-1-2-4-6-8;7-5(8)3-1-2-4-6(9)10/h1-8H2;1-4H2,(H,7,8)(H,9,10)
InChIKey
UFFRSDWQMJYQNE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCC(=O)O.NCCCCCCN
Isomeric Smiles
C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9174685
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9542978
LogD (pH = 7.4)
-5.3871665
Log P
0.49065435
Molar Refractivity
32.739
Polarizability
12.971139
Polar Surface Area
74.6
Rotatable Bonds
10
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
No Data Available
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Molecule Details
References
Bioactivity
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