Molecule

ID:84510

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₃NO
Molecular Mass
210.44518
Exact Mass
208.92019673
Charge
0
InChI
InChI=1S/C6H2Cl3NO/c7-4-1-3(6(9)11)2-10-5(4)8/h1-2H
InChIKey
NZEAAWXZOUGYCH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnc(c(c1)Cl)Cl
Isomeric Smiles
n1c(c(cc(c1)C(=O)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3747525
LogD (pH = 7.4)
2.3747525
Log P
2.3747525
Molar Refractivity
45.6867
Polarizability
17.249405
Polar Surface Area
29.96
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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