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

Formula:C17H17N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C17H17N3O4
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C17H17N3O4/c21-17(8-7-16-2-1-13-24-16)19-11-9-18(10-12-19)14-3-5-15(6-4-14)20(22)23/h1-8,13H,9-12H2
InChIK	KDYNSJNGWHTAAG-UHFFFAOYSA-N
TotalMolweight	327.339
Molweight	327.339
MonoisotopicMass	327.121907
CLogP	1.5348
CLogS	-3.185
H Acceptors	7
TotalSurfaceArea	252.77
Relative PSA	0.25585
PolarSurfaceArea	82.51
Druglikeness	0.091438
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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