Molecule

ID:43841

General Information
Structure
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChIKey
WUGTXQVNSRFDNV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1C)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3152003
LogD (pH = 7.4)
2.3152099
Log P
2.31521
Molar Refractivity
39.1635
Polarizability
15.047156
Polar Surface Area
12.89
Rotatable Bonds
0
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
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References
Bioactivity
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