Molecule

ID:53927

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2
InChIKey
QELZCGMVHLQNSO-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccnc(c1)Cl
Isomeric Smiles
c1cnc(cc1CCl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1670225
LogD (pH = 7.4)
2.1670372
Log P
2.1670372
Molar Refractivity
39.6341
Polarizability
15.06284
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
No Data Available
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Molecule Details
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References
Bioactivity
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