Molecule

ID:100016

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFI
Molecular Mass
270.4704732
Exact Mass
269.91085406
Charge
0
InChI
InChI=1S/C7H5ClFI/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3
InChIKey
FAOXSYMVXHAUFV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1C)I
Isomeric Smiles
Fc1c(cc(c(c1)Cl)I)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1623583
LogD (pH = 7.4)
4.1623583
Log P
4.1623583
Molar Refractivity
49.4829
Polarizability
19.057629
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
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References
Bioactivity
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