Molecule

ID:9662

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅Cl₂F₃O₂
Molecular Mass
309.0681096
Exact Mass
307.96186942
Charge
0
InChI
InChI=1S/C12H5Cl2F3O2/c13-7-3-1-6(2-4-7)9-5-8(11(14)18)10(19-9)12(15,16)17/h1-5H
InChIKey
FOMUAOFXECJYNX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cc(c(o1)C(F)(F)F)C(=O)Cl
Isomeric Smiles
c1(cc(oc1C(F)(F)F)c1ccc(cc1)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2735248
LogD (pH = 7.4)
4.2735248
Log P
4.2735248
Molar Refractivity
65.3558
Polarizability
25.048033
Polar Surface Area
30.21
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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