(E)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one

Formula:C25H23N3O3 Mutagenic:none Tumorigenic:low Reproductive Effective:high (E)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
MolecularFormula	C25H23N3O3
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C(/c1ccccc1)=C/c1ccccc1)=O)=O
InChI	InChI=1S/C25H23N3O3/c29-25(24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20)27-17-15-26(16-18-27)22-11-13-23(14-12-22)28(30)31/h1-14,19H,15-18H2
InChIK	DHNLBCXSKMIFKS-UHFFFAOYSA-N
TotalMolweight	413.476
Molweight	413.476
MonoisotopicMass	413.173942
CLogP	3.6829
CLogS	-4.46
H Acceptors	6
TotalSurfaceArea	321.05
Relative PSA	0.15748
PolarSurfaceArea	69.37
Druglikeness	2.5581
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	8
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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