Molecule

ID:22477

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₃IN
Molecular Mass
307.4394596
Exact Mass
306.88725941
Charge
0
InChI
InChI=1S/C6H2ClF3IN/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H
InChIKey
XUKSELWKZDQLON-UHFFFAOYSA-N
Canonic Smiles
Ic1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)C(F)(F)F)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1989985
LogD (pH = 7.4)
3.1989987
Log P
3.1989987
Molar Refractivity
47.7502
Polarizability
18.451725
Polar Surface Area
12.89
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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