(E)-1-(4-fluorophenyl)-3-pyridin-3-ylprop-2-en-1-one

Formula:C14H10NOF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-fluorophenyl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(4-fluorophenyl)-3-pyridin-3-ylprop-2-en-1-one
MolecularFormulaC14H10NOF
SmilesO=C(/C=C/c1cnccc1)c(cc1)ccc1F
InChIInChI=1S/C14H10FNO/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10H
InChIKFRYWLNMRJYVFMB-UHFFFAOYSA-N
TotalMolweight227.237
Molweight227.237
MonoisotopicMass227.074642
CLogP2.4037
CLogS-3.359
H Acceptors2
TotalSurfaceArea182.38
Relative PSA0.13165
PolarSurfaceArea29.96
Druglikeness-1.0514
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.70588
Fragments1
Non HAtoms17
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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