Molecule

ID:99914

General Information
Structure
MolImage
Molecular Formula
C₈H₆FIN₂
Molecular Mass
276.0495132
Exact Mass
275.95597442
Charge
0
InChI
InChI=1S/C8H6FIN2/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3
InChIKey
KUIFBOPEQAMZJO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(I)nn2C
Isomeric Smiles
n1c(c2cc(ccc2n1C)F)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5242171
LogD (pH = 7.4)
2.5242178
Log P
2.5242178
Molar Refractivity
64.5761
Polarizability
21.359312
Polar Surface Area
17.82
Rotatable Bonds
0
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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