Molecule

ID:69250

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO₂
Molecular Mass
169.1530232
Exact Mass
169.05390672
Charge
0
InChI
InChI=1S/C8H8FNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3
InChIKey
GLDMIZKOJPVEIV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1C)C)F
Isomeric Smiles
c1(c(c(c(cc1)F)C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0827746
LogD (pH = 7.4)
3.0827746
Log P
3.0827746
Molar Refractivity
42.6773
Polarizability
15.471718
Polar Surface Area
43.14
Rotatable Bonds
1
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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