Molecule

ID:113026

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFI
Molecular Mass
270.4704732
Exact Mass
269.91085406
Charge
0
InChI
InChI=1S/C7H5ClFI/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
WSWUNNQWPCJZFU-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c(c1)I)F
Isomeric Smiles
c1(c(ccc(c1)CCl)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6321344
LogD (pH = 7.4)
3.6321344
Log P
3.6321344
Molar Refractivity
49.5038
Polarizability
19.072653
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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