(E)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula:C23H26N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C23H26N4O4
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccccc1)=O)c1)c1N1CCOCC1)=O
InChI	InChI=1S/C23H26N4O4/c28-23(9-6-19-4-2-1-3-5-19)26-12-10-24(11-13-26)20-7-8-21(27(29)30)22(18-20)25-14-16-31-17-15-25/h1-9,18H,10-17H2
InChIK	DOXLVZLKDVYMIC-UHFFFAOYSA-N
TotalMolweight	422.483
Molweight	422.483
MonoisotopicMass	422.195406
CLogP	2.0151
CLogS	-3.606
H Acceptors	8
TotalSurfaceArea	324.92
Relative PSA	0.19731
PolarSurfaceArea	81.84
Druglikeness	-0.67693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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