Molecule

ID:58639

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FN₃O₂
Molecular Mass
221.1878232
Exact Mass
221.06005473
Charge
0
InChI
InChI=1S/C10H8FN3O2/c11-6-3-1-2-5(4-6)10-14-7(8(12)15)9(13)16-10/h1-4H,13H2,(H2,12,15)
InChIKey
BSNOBRWMGRECQS-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1oc(c(n1)C(=O)N)N
Isomeric Smiles
o1c(c(nc1c1cc(ccc1)F)C(=O)N)N
Calculated Properties
JChem
Acid pKa
14.139893
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.229465
LogD (pH = 7.4)
1.2294651
Log P
1.229465
Molar Refractivity
64.7455
Polarizability
20.330711
Polar Surface Area
95.14
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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