Molecule

ID:87

General Information
Structure
Loading...
Molecular Formula
C₁₄H₃₀N₂O₄++
Molecular Mass
290.399
Exact Mass
290.22055745
Charge
2
InChI
InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
InChIKey
AXOIZCJOOAYSMI-UHFFFAOYSA-N
Canonic Smiles
O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
Isomeric Smiles
O(CC[N+](C)(C)C)C(=O)CCC(=O)OCC[N+](C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-8.39
LogD (pH = 5.5)
-8.39
Log P
-8.39
Rotatable Bonds
11
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.75
Polar Surface Area
52.60
Polarizability
33.46
Molar Refractivity
100.94
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
Loading...
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...