Molecule

ID:7853

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₃O₂
Molecular Mass
225.45652
Exact Mass
223.91986238
Charge
0
InChI
InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
CGFDSIZRJWMQPP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(=O)O)Cl
Isomeric Smiles
c1(cc(c(c(c1)C(=O)O)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
2.7332292
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7446381
LogD (pH = 7.4)
-0.055957045
Log P
3.4429626
Molar Refractivity
47.7286
Polarizability
18.551504
Polar Surface Area
37.3
Rotatable Bonds
1
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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