Molecule

ID:63607

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FIN₃
Molecular Mass
353.1335332
Exact Mass
352.98252352
Charge
0
InChI
InChI=1S/C13H9FIN3/c14-11-6-2-1-4-9(11)8-18-13-10(12(15)17-18)5-3-7-16-13/h1-7H,8H2
InChIKey
GQXVRHDLHZVBCE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1Cn1nc(c2c1nccc2)I
Isomeric Smiles
Fc1ccccc1Cn1c2ncccc2c(I)n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3982553
LogD (pH = 7.4)
3.3984778
Log P
3.3984807
Molar Refractivity
86.9844
Polarizability
29.342579
Polar Surface Area
30.71
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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