Molecule

ID:7591

General Information
Structure
Molecular Formula
C₈H₃ClF₄O
Molecular Mass
226.5554328
Exact Mass
225.98085528
Charge
0
InChI
InChI=1S/C8H3ClF4O/c9-7(14)4-1-5(8(11,12)13)3-6(10)2-4/h1-3H
InChIKey
BGAKSLBTFLVNAH-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(c1)C(F)(F)F)C(=O)Cl
Isomeric Smiles
O=C(Cl)c1cc(cc(F)c1)C(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
15.386867
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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