Molecule

ID:94411

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₂IO₂
Molecular Mass
360.0947564
Exact Mass
359.9458839
Charge
0
InChI
InChI=1S/C13H7F2IO2/c14-11-6-5-10(7-12(11)15)18-13(17)8-1-3-9(16)4-2-8/h1-7H
InChIKey
CAZRHCYUWGEBGL-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)C(=O)Oc1ccc(c(c1)F)F
Isomeric Smiles
O(c1ccc(c(c1)F)F)C(=O)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8490295
LogD (pH = 7.4)
4.8490295
Log P
4.8490295
Molar Refractivity
71.6562
Polarizability
27.21744
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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