Molecule

ID:94758

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFI
Molecular Mass
256.4438932
Exact Mass
255.895204
Charge
0
InChI
InChI=1S/C6H3ClFI/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChIKey
MHRRZKUNYYQXTA-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)cccc1I
Isomeric Smiles
Ic1c(c(ccc1)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.648937
LogD (pH = 7.4)
3.648937
Log P
3.648937
Molar Refractivity
44.4417
Polarizability
17.36449
Polar Surface Area
0.0
Rotatable Bonds
0
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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