Molecule

ID:85607

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
UQRLKWGPEVNVHT-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)cc(c1)Cl
Isomeric Smiles
Nc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3518791
LogD (pH = 7.4)
2.3524024
Log P
2.3524091
Molar Refractivity
40.368
Polarizability
15.241158
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