Molecule

ID:29957

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₄
Molecular Mass
212.5719128
Exact Mass
212.00159072
Charge
0
InChI
InChI=1S/C8H5ClF4/c9-6-3-5(1-2-7(6)10)4-8(11,12)13/h1-3H,4H2
InChIKey
XWGYTDWBVNWYJF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)CC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)CC(F)(F)F)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.868144
LogD (pH = 7.4)
3.868144
Log P
3.868144
Molar Refractivity
41.5047
Polarizability
15.143251
Polar Surface Area
0.0
Rotatable Bonds
2
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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