Molecule

ID:70110

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₃O
Molecular Mass
197.44642
Exact Mass
195.92494776
Charge
0
InChI
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
LHJGJYXLEPZJPM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1O)Cl
Isomeric Smiles
c1(c(cc(c(c1)Cl)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
6.828417
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4620433
LogD (pH = 7.4)
2.8189888
Log P
3.4818146
Molar Refractivity
42.4533
Polarizability
16.737995
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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