Molecule

ID:78446

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey
BRPSAOUFIJSKOT-UHFFFAOYSA-N
Canonic Smiles
Clc1c(N)cccc1Cl
Isomeric Smiles
Nc1cccc(c1Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.352243
LogD (pH = 7.4)
2.3524072
Log P
2.3524091
Molar Refractivity
40.368
Polarizability
15.270299
Polar Surface Area
26.02
Rotatable Bonds
0
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