Molecule

ID:58192

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₂IN₂
Molecular Mass
258.0078764
Exact Mass
257.94655261
Charge
0
InChI
InChI=1S/C5H5F2IN2/c1-3-4(8)2-10(9-3)5(6)7/h2,5H,1H3
InChIKey
QHPZQRNOUVTKIE-UHFFFAOYSA-N
Canonic Smiles
Ic1cn(nc1C)C(F)F
Isomeric Smiles
n1(cc(c(n1)C)I)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.38812
LogD (pH = 7.4)
2.388178
Log P
2.3881788
Molar Refractivity
52.9243
Polarizability
15.973725
Polar Surface Area
17.82
Rotatable Bonds
1
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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