(E)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]-1-pyridin-3-ylprop-2-en-1-one

Formula:C20H13N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[4-(4-fluorophenoxy)-3-nitrophenyl]-1-pyridin-3-ylprop-2-en-1-one
MolecularFormula	C20H13N2O4F
Smiles	[O-][N+](c(cc(/C=C/C(c1cnccc1)=O)cc1)c1Oc(cc1)ccc1F)=O
InChI	InChI=1S/C20H13FN2O4/c21-16-5-7-17(8-6-16)27-20-10-4-14(12-18(20)23(25)26)3-9-19(24)15-2-1-11-22-13-15/h1-13H
InChIK	CVWXEAMDMUPTTM-UHFFFAOYSA-N
TotalMolweight	364.331
Molweight	364.331
MonoisotopicMass	364.085936
CLogP	2.8777
CLogS	-6.116
H Acceptors	6
TotalSurfaceArea	275.81
Relative PSA	0.2336
PolarSurfaceArea	85.01
Druglikeness	-6.1844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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