Molecule
ID:79690
General Information
Molecular Formula
C₆H₃Cl₃O₂
Molecular Mass
213.44582
Exact Mass
211.91986238
Charge
0
InChI
InChI=1S/C6H3Cl3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
InChIKey
NHOATJNESSAPCQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1O)Cl)O
Isomeric Smiles
Clc1c(c(cc(c1O)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
5.9055285
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0320325
LogD (pH = 7.4)
1.2519475
Log P
3.1782491
Molar Refractivity
44.4342
Polarizability
17.457531
Polar Surface Area
40.46
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
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Molecule Details
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References
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Bioactivity
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