Molecule

ID:51679

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIN₂
Molecular Mass
262.0229332
Exact Mass
261.94032436
Charge
0
InChI
InChI=1S/C7H4FIN2/c8-5-3-4-1-2-10-7(4)11-6(5)9/h1-3H,(H,10,11)
InChIKey
AVANIMKSNTZKIZ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2cc[nH]c2nc1I
Isomeric Smiles
c1(c(nc2c(c1)cc[nH]2)I)F
Calculated Properties
JChem
Acid pKa
15.1890745
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3260314
LogD (pH = 7.4)
2.3260314
Log P
2.3260314
Molar Refractivity
48.2272
Polarizability
19.052847
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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