Molecule

ID:69650

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂N
Molecular Mass
162.0166
Exact Mass
160.97990453
Charge
0
InChI
InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey
SDYWXFYBZPNOFX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Nc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3515804
LogD (pH = 7.4)
2.3523989
Log P
2.3524091
Molar Refractivity
40.368
Polarizability
15.256393
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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