Molecule
ID:98957
General Information
Molecular Formula
C₈H₆FIO
Molecular Mass
264.0355132
Exact Mass
263.94474103
Charge
0
InChI
InChI=1S/C8H6FIO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
InChIKey
PAAFYGBEQFBNDA-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(=O)C)F
Isomeric Smiles
O=C(c1c(ccc(c1)I)F)C
Calculated Properties
JChem
Acid pKa
15.170509
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6025398
LogD (pH = 7.4)
2.6025398
Log P
2.6025398
Molar Refractivity
50.0397
Polarizability
19.08318
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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