Molecule

ID:65030

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FINO₂
Molecular Mass
333.0975332
Exact Mass
332.96620475
Charge
0
InChI
InChI=1S/C11H9FINO2/c1-2-16-11(15)10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
InChIKey
QFJIFAVZNQADDY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1I)cc(cc2)F
Isomeric Smiles
c1(ccc2[nH]c(c(c2c1)I)C(=O)OCC)F
Calculated Properties
JChem
Acid pKa
10.201363
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4239328
LogD (pH = 7.4)
3.4233387
Log P
3.4239402
Molar Refractivity
67.3748
Polarizability
26.697348
Polar Surface Area
42.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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