Molecule

ID:98914

General Information
Structure
MolImage
Molecular Formula
C₆H₅FIN
Molecular Mass
237.0134732
Exact Mass
236.94507539
Charge
0
InChI
InChI=1S/C6H5FIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKey
XNFXQUHUFXJVSV-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)N)F
Isomeric Smiles
Fc1c(cc(cc1)I)N
Calculated Properties
JChem
Acid pKa
18.540068
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2158954
LogD (pH = 7.4)
2.2159653
Log P
2.2159662
Molar Refractivity
44.3373
Polarizability
16.505638
Polar Surface Area
26.02
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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