Molecule

ID:66039

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₃N
Molecular Mass
196.46166
Exact Mass
194.94093217
Charge
0
InChI
InChI=1S/C6H4Cl3N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
InChIKey
UYBVOPLURVHJOX-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)CCl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.991259
LogD (pH = 7.4)
2.991259
Log P
2.991259
Molar Refractivity
45.5002
Polarizability
17.075588
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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