Molecule

ID:98622

General Information
Structure
MolImage
Molecular Formula
C₆H₅FIN
Molecular Mass
237.0134732
Exact Mass
236.94507539
Charge
0
InChI
InChI=1S/C6H5FIN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
HTEPMXLKKDKDAQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)cc(c1)I
Isomeric Smiles
Nc1cc(cc(c1)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2155292
LogD (pH = 7.4)
2.2159607
Log P
2.2159662
Molar Refractivity
44.3373
Polarizability
16.50494
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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