Molecule

ID:42437

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FN₂O
Molecular Mass
228.2217632
Exact Mass
228.06989114
Charge
0
InChI
InChI=1S/C13H9FN2O/c14-10-6-5-8(15)7-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChIKey
GSPQMNYKHHIKRO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)c1nc2c(o1)cccc2)F
Isomeric Smiles
c1(nc2c(o1)cccc2)c1c(ccc(c1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6568596
LogD (pH = 7.4)
2.658392
Log P
2.6584117
Molar Refractivity
72.7415
Polarizability
24.898676
Polar Surface Area
52.05
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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