Molecule

ID:66766

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIN₂
Molecular Mass
262.0229332
Exact Mass
261.94032436
Charge
0
InChI
InChI=1S/C7H4FIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKey
CZUPBTJBMHZBTJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(I)n[nH]2
Isomeric Smiles
[nH]1nc(c2cc(ccc12)F)I
Calculated Properties
JChem
Acid pKa
10.7524605
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4005384
LogD (pH = 7.4)
2.4003537
Log P
2.4005418
Molar Refractivity
49.3601
Polarizability
19.631266
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
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Molecule Details
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References
Bioactivity
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