Molecule

ID:93089

General Information
Structure
Molecular Formula
C₁₃H₈FNO₄
Molecular Mass
261.2053232
Exact Mass
261.04373596
Charge
0
InChI
InChI=1S/C13H8FNO4/c14-12-7-6-9(15(17)18)8-11(12)13(16)19-10-4-2-1-3-5-10/h1-8H
InChIKey
CNCFGYULISHIJA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1C(=O)Oc1ccccc1)[N+](=O)[O-]
Isomeric Smiles
O=C(c1c(ccc(c1)[N+](=O)[O-])F)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7173674
LogD (pH = 7.4)
3.7173674
Log P
3.7173674
Molar Refractivity
65.402
Polarizability
24.105865
Polar Surface Area
72.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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