Molecule

ID:23405

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FN₂O
Molecular Mass
230.2376432
Exact Mass
230.0855412
Charge
0
InChI
InChI=1S/C13H11FN2O/c14-10-3-7-12(8-4-10)16-13(17)9-1-5-11(15)6-2-9/h1-8H,15H2,(H,16,17)
InChIKey
XGUHVHHJBSMNAG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.099665
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3780644
LogD (pH = 7.4)
2.378896
Log P
2.3789065
Molar Refractivity
66.5083
Polarizability
23.734133
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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