Molecule

ID:107988

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₃N
Molecular Mass
196.46166
Exact Mass
194.94093217
Charge
0
InChI
InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChIKey
XOGYQVITULCUGU-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(c(c1)Cl)Cl
Isomeric Smiles
Nc1cc(Cl)c(Cl)c(Cl)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.956231
LogD (pH = 7.4)
2.9564512
Log P
2.9564538
Molar Refractivity
45.1728
Polarizability
17.234715
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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