Molecule

ID:98166

General Information
Structure
Molecular Formula
C₆H₃FINO₂
Molecular Mass
266.9963932
Exact Mass
266.91925456
Charge
0
InChI
InChI=1S/C6H3FINO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChIKey
XSFIPDPCQOJJFR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)I)F
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)F)I)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9848764
LogD (pH = 7.4)
2.9848764
Log P
2.9848764
Molar Refractivity
46.9616
Polarizability
17.504322
Polar Surface Area
45.82
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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