Molecule

ID:51732

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKey
JTTKXEIHKDSIRC-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cn1)Cl
Isomeric Smiles
n1c(ccc(c1)Cl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0280643
LogD (pH = 7.4)
2.0283287
Log P
2.028332
Molar Refractivity
38.0506
Polarizability
15.019006
Polar Surface Area
12.89
Rotatable Bonds
1
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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