Molecule

ID:96521

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅Cl₂F₃O₂
Molecular Mass
309.0681096
Exact Mass
307.96186942
Charge
0
InChI
InChI=1S/C12H5Cl2F3O2/c13-8-3-6(12(15,16)17)4-9(14)11(8)10-2-1-7(5-18)19-10/h1-5H
InChIKey
QNYCADSCMMHYJB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
o1c(ccc1C=O)c1c(cc(cc1Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.399159
LogD (pH = 7.4)
4.399159
Log P
4.399159
Molar Refractivity
65.6299
Polarizability
25.089348
Polar Surface Area
30.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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