Molecule

ID:27601

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO₂
Molecular Mass
167.1371432
Exact Mass
167.03825666
Charge
0
InChI
InChI=1S/C8H6FNO2/c1-12-8-3-2-6(10-5-11)4-7(8)9/h2-4H,1H3
InChIKey
FSSWSWKARIEXDN-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(c(c1)F)OC
Isomeric Smiles
C(=Nc1cc(c(cc1)OC)F)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8678321
LogD (pH = 7.4)
1.8678322
Log P
1.8678322
Molar Refractivity
41.8096
Polarizability
14.922686
Polar Surface Area
38.66
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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