Molecule

ID:71487

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FN₂O₂
Molecular Mass
270.2584432
Exact Mass
270.08045582
Charge
0
InChI
InChI=1S/C15H11FN2O2/c16-10-5-7-11(8-6-10)17-9-18-14(19)12-3-1-2-4-13(12)15(18)20/h1-8,17H,9H2
InChIKey
ABKVYGLHDZFOJO-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CNc2ccc(cc2)F)C(=O)c2c1cccc2
Isomeric Smiles
c1ccc2C(=O)N(C(=O)c2c1)CNc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.604126
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.44336
LogD (pH = 7.4)
2.444388
Log P
2.444401
Molar Refractivity
73.5202
Polarizability
26.407022
Polar Surface Area
49.41
Rotatable Bonds
3
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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