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

Formula:C17H16N3O4Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C17H16N3O4Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1N(CC1)CCN1C(/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C17H16ClN3O4/c18-15-12-13(21(23)24)3-5-16(15)19-7-9-20(10-8-19)17(22)6-4-14-2-1-11-25-14/h1-6,11-12H,7-10H2
InChIK	HIAGWNCXHFILOT-UHFFFAOYSA-N
TotalMolweight	361.784
Molweight	361.784
MonoisotopicMass	361.082934
CLogP	2.1408
CLogS	-3.921
H Acceptors	7
TotalSurfaceArea	268.19
Relative PSA	0.24114
PolarSurfaceArea	82.51
Druglikeness	0.13583
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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