Molecule

ID:97166

General Information
Structure
Molecular Formula
C₄H₃ClF₃I
Molecular Mass
270.4192996
Exact Mass
269.89201044
Charge
0
InChI
InChI=1S/C4H3ClF3I/c5-3(1-2-9)4(6,7)8/h1H,2H2
InChIKey
RHUXYOMKUAHFKU-UHFFFAOYSA-N
Canonic Smiles
IC/C=C(/C(F)(F)F)\Cl
Isomeric Smiles
IC/C=C(\Cl)/C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1708627
LogD (pH = 7.4)
3.1708627
Log P
3.1708627
Molar Refractivity
40.0294
Polarizability
14.915744
Polar Surface Area
0.0
Rotatable Bonds
2
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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