Molecule

ID:54160

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN₅
Molecular Mass
205.1917232
Exact Mass
205.0763735
Charge
0
InChI
InChI=1S/C9H8FN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
PWZNTESZSJQVGW-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(N)nc(n1)c1ccccc1F
Isomeric Smiles
n1c(nc(nc1N)c1ccccc1F)N
Calculated Properties
JChem
Acid pKa
15.54275
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8482516
LogD (pH = 7.4)
1.9896297
Log P
1.9917711
Molar Refractivity
67.4419
Polarizability
19.901684
Polar Surface Area
90.71
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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