Molecule

ID:84050

General Information
Structure
Molecular Formula
C₁₁H₅Cl₃O₂
Molecular Mass
275.5152
Exact Mass
273.93551244
Charge
0
InChI
InChI=1S/C11H5Cl3O2/c12-8-4-10(14)9(13)3-7(8)11-2-1-6(5-15)16-11/h1-5H
InChIKey
CYFLYDRJZXHEGS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cc(Cl)c(cc1Cl)Cl
Isomeric Smiles
o1c(ccc1C=O)c1cc(c(cc1Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1253552
LogD (pH = 7.4)
4.1253552
Log P
4.1253552
Molar Refractivity
64.461
Polarizability
25.757296
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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