Molecule

ID:97110

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO₂
Molecular Mass
167.1371432
Exact Mass
167.03825666
Charge
0
InChI
InChI=1S/C8H6FNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H
InChIKey
NKZSNHAEWKEFNE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1ccccc1F
Isomeric Smiles
Fc1c(cccc1)/C=C/[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.27005
LogD (pH = 7.4)
2.27005
Log P
2.27005
Molar Refractivity
42.2647
Polarizability
15.468822
Polar Surface Area
45.82
Rotatable Bonds
2
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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