Molecule

ID:25868

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅Cl₅O₃
Molecular Mass
374.4313
Exact Mass
371.86813242
Charge
0
InChI
InChI=1S/C12H5Cl5O3/c13-7-8(14)10(16)12(11(17)9(7)15)19-4-6-2-1-5(3-18)20-6/h1-3H,4H2
InChIKey
FCNFVMJDFMVJDS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)OCc1oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2530212
LogD (pH = 7.4)
5.2530212
Log P
5.2530212
Molar Refractivity
80.0102
Polarizability
31.085434
Polar Surface Area
39.44
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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