Molecule

ID:99480

General Information
Structure
MolImage
Molecular Formula
C₈H₇FINO
Molecular Mass
279.0501532
Exact Mass
278.95564007
Charge
0
InChI
InChI=1S/C8H7FINO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey
HRBWAJGVVZVRSJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1F)I
Isomeric Smiles
Fc1c(ccc(c1)I)NC(=O)C
Calculated Properties
JChem
Acid pKa
12.049188
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2826025
LogD (pH = 7.4)
2.2825933
Log P
2.2826025
Molar Refractivity
54.4999
Polarizability
20.266048
Polar Surface Area
29.1
Rotatable Bonds
1
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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