Molecule

ID:94669

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFIO
Molecular Mass
284.4539932
Exact Mass
283.89011862
Charge
0
InChI
InChI=1S/C7H3ClFIO/c8-7(11)5-3-4(10)1-2-6(5)9/h1-3H
InChIKey
CEMYZMDITJKYDA-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(=O)Cl)F
Isomeric Smiles
ClC(=O)c1c(ccc(c1)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2358048
LogD (pH = 7.4)
3.2358048
Log P
3.2358048
Molar Refractivity
50.7516
Polarizability
19.298054
Polar Surface Area
17.07
Rotatable Bonds
1
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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