Molecule

ID:11879

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClF₃I
Molecular Mass
258.4085996
Exact Mass
257.89201044
Charge
0
InChI
InChI=1S/C3H3ClF3I/c4-1-2(8)3(5,6)7/h2H,1H2
InChIKey
VTXHEMNTBOVTHP-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(F)(F)F)I
Isomeric Smiles
C(C(CCl)I)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8355122
LogD (pH = 7.4)
2.8355122
Log P
2.8355122
Molar Refractivity
33.9827
Polarizability
13.470396
Polar Surface Area
0.0
Rotatable Bonds
2
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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