Molecule

ID:70924

General Information
Structure
MolImage
Molecular Formula
C₇H₅FINO₂
Molecular Mass
281.0229732
Exact Mass
280.93490463
Charge
0
InChI
InChI=1S/C7H5FINO2/c1-12-7(11)5-4(9)2-3-10-6(5)8/h2-3H,1H3
InChIKey
SEKGCCUEERLGFN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(I)ccnc1F
Isomeric Smiles
C(=O)(c1c(ccnc1F)I)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2246275
LogD (pH = 7.4)
2.2246275
Log P
2.2246275
Molar Refractivity
50.52
Polarizability
19.119225
Polar Surface Area
39.19
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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