Molecule

ID:18469

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKey
SKCNYHLTRZIINA-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(nc1)Cl
Isomeric Smiles
c1(cnc(cc1)Cl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1670287
LogD (pH = 7.4)
2.1670372
Log P
2.1670372
Molar Refractivity
39.6341
Polarizability
15.062553
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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