Molecule

ID:22306

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIN₂
Molecular Mass
262.0229332
Exact Mass
261.94032436
Charge
0
InChI
InChI=1S/C7H4FIN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
InChIKey
SKGPKXOWCGPCBE-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1)c(I)c[nH]2
Isomeric Smiles
c12c(cc(cn1)F)c(c[nH]2)I
Calculated Properties
JChem
Acid pKa
14.017662
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2934344
LogD (pH = 7.4)
2.2934437
Log P
2.293444
Molar Refractivity
48.5191
Polarizability
18.970552
Polar Surface Area
28.68
Rotatable Bonds
0
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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