Molecule

ID:51676

General Information
Structure
MolImage
Molecular Formula
C₇H₃FI₂N₂
Molecular Mass
387.9194632
Exact Mass
387.83697233
Charge
0
InChI
InChI=1S/C7H3FI2N2/c8-3-1-11-7-5(6(3)10)4(9)2-12-7/h1-2H,(H,11,12)
InChIKey
RNKUSVGRMCQMAX-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1I)c(I)c[nH]2
Isomeric Smiles
c1(cnc2c(c1I)c(c[nH]2)I)F
Calculated Properties
JChem
Acid pKa
13.252399
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2223878
LogD (pH = 7.4)
3.2223878
Log P
3.2223883
Molar Refractivity
61.8816
Polarizability
24.528536
Polar Surface Area
28.68
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
References
Bioactivity
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