Molecule

ID:68998

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃O
Molecular Mass
208.5649696
Exact Mass
207.99027709
Charge
0
InChI
InChI=1S/C8H4ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H
InChIKey
CVRLMVFONQYBOC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1C(F)(F)F
Isomeric Smiles
C(=O)c1c(ccc(c1)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1676414
LogD (pH = 7.4)
3.1676414
Log P
3.1676414
Molar Refractivity
43.4205
Polarizability
15.46113
Polar Surface Area
17.07
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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