(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Formula:C19H18N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C19H18N3O3F
Smiles	[O-][N+](c1ccc(/C=C/C(N(CC2)CCN2c(cc2)ccc2F)=O)cc1)=O
InChI	InChI=1S/C19H18FN3O3/c20-16-4-8-17(9-5-16)21-11-13-22(14-12-21)19(24)10-3-15-1-6-18(7-2-15)23(25)26/h1-10H,11-14H2
InChIK	OMDNDLGNBZLUEX-UHFFFAOYSA-N
TotalMolweight	355.368
Molweight	355.368
MonoisotopicMass	355.13322
CLogP	2.4469
CLogS	-3.817
H Acceptors	6
TotalSurfaceArea	269.43
Relative PSA	0.18766
PolarSurfaceArea	69.37
Druglikeness	-0.98097
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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