Molecule

ID:70800

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKey
KNIKCOPEHZTQJV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(n1)Cl)C
Isomeric Smiles
c1(c(ccc(n1)Cl)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9174385
LogD (pH = 7.4)
2.9174385
Log P
2.9174385
Molar Refractivity
40.6745
Polarizability
15.0990925
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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