Molecule

ID:54403

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₂IN
Molecular Mass
240.9773564
Exact Mass
240.92000351
Charge
0
InChI
InChI=1S/C5H2F2IN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
AIXBVJWFQNYGJA-UHFFFAOYSA-N
Canonic Smiles
Fc1c(I)ccnc1F
Isomeric Smiles
c1(c(c(ccn1)I)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3638525
LogD (pH = 7.4)
2.3638525
Log P
2.3638525
Molar Refractivity
38.7111
Polarizability
14.539585
Polar Surface Area
12.89
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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