Molecule

ID:97085

General Information
Structure
Molecular Formula
C₁₃H₈FNO₃
Molecular Mass
245.2059232
Exact Mass
245.04882134
Charge
0
InChI
InChI=1S/C13H8FNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H
InChIKey
ICDAYOOBGHYICW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
Fc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.515285
LogD (pH = 7.4)
3.515285
Log P
3.515285
Molar Refractivity
64.1746
Polarizability
23.54072
Polar Surface Area
62.89
Rotatable Bonds
3
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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