Molecule

ID:100014

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFI
Molecular Mass
256.4438932
Exact Mass
255.895204
Charge
0
InChI
InChI=1S/C6H3ClFI/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey
RAHHKUWCBDUSPZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)I)Cl
Isomeric Smiles
Ic1c(ccc(c1)F)Cl
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
17.342781
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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