Molecule

ID:76025

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅Cl₃O₃
Molecular Mass
291.5146
Exact Mass
289.93042706
Charge
0
InChI
InChI=1S/C11H5Cl3O3/c12-6-3-7(13)5-8(4-6)16-10-2-1-9(17-10)11(14)15/h1-5H
InChIKey
YLENOTQUCQGWGX-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)Oc1ccc(o1)C(=O)Cl
Isomeric Smiles
o1c(ccc1C(=O)Cl)Oc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.022073
LogD (pH = 7.4)
4.022073
Log P
4.022073
Molar Refractivity
64.6673
Polarizability
25.230846
Polar Surface Area
39.44
Rotatable Bonds
3
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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