Molecule

ID:94529

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃IS
Molecular Mass
304.0713396
Exact Mass
303.90305379
Charge
0
InChI
InChI=1S/C7H4F3IS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H
InChIKey
RIVGBAIATPAXKD-UHFFFAOYSA-N
Canonic Smiles
FC(Sc1ccc(cc1)I)(F)F
Isomeric Smiles
S(c1ccc(cc1)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8709164
LogD (pH = 7.4)
4.8709164
Log P
4.8709164
Molar Refractivity
52.406
Polarizability
20.055525
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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