Molecule

ID:56309

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₂O₃
Molecular Mass
243.04296
Exact Mass
241.95374935
Charge
0
InChI
InChI=1S/C10H4Cl2O3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H
InChIKey
RLMRYRFPMMGSAT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc(c(=O)o2)C(=O)Cl
Isomeric Smiles
c1(c(=O)oc2c(c1)cc(cc2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.507977
LogD (pH = 7.4)
2.507977
Log P
2.507977
Molar Refractivity
56.2862
Polarizability
21.472721
Polar Surface Area
43.37
Rotatable Bonds
1
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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