Molecule

ID:55364

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O₂
Molecular Mass
273.19988
Exact Mass
272.10583331
Charge
0
InChI
InChI=1S/C10H20N2O2.2ClH/c1-13-9(11)7-5-3-4-6-8-10(12)14-2;;/h11-12H,3-8H2,1-2H3;2*1H
InChIKey
ILKCDNKCNSNFMP-UHFFFAOYSA-N
Canonic Smiles
COC(=N)CCCCCCC(=N)OC.Cl.Cl
Isomeric Smiles
C(=N)(OC)CCCCCCC(=N)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1352526
LogD (pH = 7.4)
1.4315612
Log P
1.6307695
Molar Refractivity
76.961
Polarizability
21.991508
Polar Surface Area
66.16
Rotatable Bonds
9
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