Molecule

ID:23223

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₂N₂O
Molecular Mass
248.2281064
Exact Mass
248.07611939
Charge
0
InChI
InChI=1S/C13H10F2N2O/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)15/h1-7H,16H2,(H,17,18)
InChIKey
SNFIOWCWKFJBCF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
10.797321
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.518714
LogD (pH = 7.4)
2.5214052
Log P
2.5216086
Molar Refractivity
66.7247
Polarizability
23.46258
Polar Surface Area
55.12
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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