Molecule

ID:7013

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₃I
Molecular Mass
237.9901196
Exact Mass
237.94663285
Charge
0
InChI
InChI=1S/C4H6F3I/c1-3(8)2-4(5,6)7/h3H,2H2,1H3
InChIKey
SYXQWKHNRKDCIF-UHFFFAOYSA-N
Canonic Smiles
CC(CC(F)(F)F)I
Isomeric Smiles
C(F)(F)(F)CC(I)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7403553
LogD (pH = 7.4)
2.7403553
Log P
2.7403553
Molar Refractivity
33.9144
Polarizability
13.174861
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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