Molecule

ID:60992

General Information
Structure
Molecular Formula
C₁₀H₉FN₄O
Molecular Mass
220.2030632
Exact Mass
220.07603915
Charge
0
InChI
InChI=1S/C10H9FN4O/c11-6-1-3-7(4-2-6)13-10-14-8(12)5-9(16)15-10/h1-5H,(H4,12,13,14,15,16)
InChIKey
MWOBQKUYMOUXRE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Nc1nc(N)cc(=O)[nH]1
Isomeric Smiles
c1(nc(cc(=O)[nH]1)N)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
10.942422
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.0368516
LogD (pH = 7.4)
1.039966
Log P
1.0401176
Molar Refractivity
67.6339
Polarizability
20.672607
Polar Surface Area
79.51
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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