Molecule

ID:9026

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1N)Cl
Isomeric Smiles
c1ccc(c(c1Cl)N)Cl
Calculated Properties
JChem
Acid pKa
17.93075
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3523793
LogD (pH = 7.4)
2.352409
Log P
2.3524091
Molar Refractivity
40.368
Polarizability
15.245853
Polar Surface Area
26.02
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
References
Bioactivity
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