(E)-1-(4-nitrophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-en-1-one

Formula:C15H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-nitrophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-nitrophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-en-1-one
MolecularFormula	C15H20N4O3
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/NCCN1CCNCC1)=O)=O
InChI	InChI=1S/C15H20N4O3/c20-15(13-1-3-14(4-2-13)19(21)22)5-6-16-7-10-18-11-8-17-9-12-18/h1-6,16-17H,7-12H2
InChIK	JOMKTZKYDGOBOI-UHFFFAOYSA-N
TotalMolweight	304.349
Molweight	304.349
MonoisotopicMass	304.153541
CLogP	-3.6204
CLogS	-2.093
H Acceptors	7
H Donors	2
TotalSurfaceArea	243.46
Relative PSA	0.28723
PolarSurfaceArea	90.19
Druglikeness	-1.5844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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