Molecule

ID:95109

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₂IN
Molecular Mass
255.0039364
Exact Mass
254.93565357
Charge
0
InChI
InChI=1S/C6H4F2IN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChIKey
CHXXMQJPYOKYSB-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)c(c(c1)F)I
Isomeric Smiles
Nc1cc(c(c(c1)F)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.358597
LogD (pH = 7.4)
2.3586674
Log P
2.3586683
Molar Refractivity
44.5537
Polarizability
16.457373
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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