Molecule

ID:68587

General Information
Structure
MolImage
Molecular Formula
C₆H₅FIN
Molecular Mass
237.0134732
Exact Mass
236.94507539
Charge
0
InChI
InChI=1S/C6H5FIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey
ANOOZLFFCNANTR-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)I)F
Isomeric Smiles
c1(c(cc(cn1)C)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.734572
LogD (pH = 7.4)
2.734572
Log P
2.734572
Molar Refractivity
43.5359
Polarizability
16.288208
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
References
Bioactivity
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