Molecule

ID:110313

General Information
Structure
Molecular Formula
C₁₂H₃₂Cl₂N₂O
Molecular Mass
291.30128
Exact Mass
290.18916901
Charge
0
InChI
InChI=1S/C12H30N2.2ClH.H2O/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;;/h7-12H2,1-6H3;2*1H;1H2/q+2;;;/p-2
InChIKey
KDQKULSLNYBEOX-UHFFFAOYSA-L
Canonic Smiles
C[N+](CCCCCC[N+](C)(C)C)(C)C.O.[Cl-].[Cl-]
Isomeric Smiles
O.[Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-6.6493993
LogD (pH = 7.4)
-6.6493993
Log P
-6.6493993
Molar Refractivity
88.5464
Polarizability
25.790108
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation