Molecule

ID:70438

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₂N₂
Molecular Mass
259.17484
Exact Mass
258.06905388
Charge
0
InChI
InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
InChIKey
MZNYWPRCVDMOJG-UHFFFAOYSA-N
Canonic Smiles
NCCNc1cccc2c1cccc2.Cl.Cl
Isomeric Smiles
C(CN)Nc1cccc2ccccc12.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.360457
LogD (pH = 7.4)
-0.5188825
Log P
1.6385169
Molar Refractivity
60.6518
Polarizability
24.321346
Polar Surface Area
38.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation