Molecule

ID:88947

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₃O₂
Molecular Mass
225.45652
Exact Mass
223.91986238
Charge
0
InChI
InChI=1S/C7H3Cl3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
PTFNNDHASFGWFI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C(=O)O)c(cc1Cl)Cl
Isomeric Smiles
OC(=O)c1cc(c(cc1Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
2.9214694
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.90937674
LogD (pH = 7.4)
-0.04024104
Log P
3.4429626
Molar Refractivity
47.7286
Polarizability
18.55533
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
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Molecule Details
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References
Bioactivity
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