Molecule

ID:71003

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIN₂
Molecular Mass
262.0229332
Exact Mass
261.94032436
Charge
0
InChI
InChI=1S/C7H4FIN2/c8-6-2-1-4-5(9)3-10-7(4)11-6/h1-3H,(H,10,11)
InChIKey
UQLFCESQBDYRJP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(n1)[nH]cc2I
Isomeric Smiles
c12c(ccc(n1)F)c(c[nH]2)I
Calculated Properties
JChem
Acid pKa
13.8267145
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6873746
LogD (pH = 7.4)
2.6873744
Log P
2.6873746
Molar Refractivity
49.5338
Polarizability
18.968313
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
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References
Bioactivity
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