Molecule

ID:43579

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃IN₂
Molecular Mass
288.0090396
Exact Mass
287.9371308
Charge
0
InChI
InChI=1S/C6H4F3IN2/c7-6(8,9)3-1-4(10)5(11)12-2-3/h1-2H,(H2,11,12)
InChIKey
VOBRARFDTYAAFC-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(cc1I)C(F)(F)F
Isomeric Smiles
c1c(cnc(c1I)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3121634
LogD (pH = 7.4)
2.327696
Log P
2.327898
Molar Refractivity
48.2512
Polarizability
17.516586
Polar Surface Area
38.91
Rotatable Bonds
1
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
References
Bioactivity
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