Molecule

ID:99710

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈FIO
Molecular Mass
314.0941932
Exact Mass
313.9603911
Charge
0
InChI
InChI=1S/C12H8FIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
VMSOWDQSUSZYOG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)Oc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5451794
LogD (pH = 7.4)
4.5451794
Log P
4.5451794
Molar Refractivity
65.8777
Polarizability
25.464792
Polar Surface Area
9.23
Rotatable Bonds
2
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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