Molecule

ID:7315

General Information
Structure
Molecular Formula
C₈H₄ClF₃O
Molecular Mass
208.5649696
Exact Mass
207.99027709
Charge
0
InChI
InChI=1S/C8H4ClF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChIKey
NIHMMULLFBKTOK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
c1c(c(cc(c1)C=O)C(F)(F)F)Cl
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
15.474605
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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