Molecule

ID:7100

General Information
Structure
Molecular Formula
C₈H₃ClF₄O
Molecular Mass
226.5554328
Exact Mass
225.98085528
Charge
0
InChI
InChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(10)6(4)8(11,12)13/h1-3H
InChIKey
FHWMGBNKQOJFOJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1C(F)(F)F)F
Isomeric Smiles
c1cc(c(c(c1)C(=O)Cl)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1847088
LogD (pH = 7.4)
3.1847088
Log P
3.1847088
Molar Refractivity
43.3628
Polarizability
15.387804
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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