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

Formula:C23H25N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C23H25N5O6
Smiles	[O-][N+](c1cccc(/C=C/C(N(CC2)CCN2c(cc2)cc(N3CCOCC3)c2[N+]([O-])=O)=O)c1)=O
InChI	InChI=1S/C23H25N5O6/c29-23(7-4-18-2-1-3-20(16-18)27(30)31)26-10-8-24(9-11-26)19-5-6-21(28(32)33)22(17-19)25-12-14-34-15-13-25/h1-7,16-17H,8-15H2
InChIK	DUJPPOYWTJNRHV-UHFFFAOYSA-N
TotalMolweight	467.481
Molweight	467.481
MonoisotopicMass	467.180485
CLogP	1.0935
CLogS	-4.066
H Acceptors	11
TotalSurfaceArea	348.59
Relative PSA	0.27118
PolarSurfaceArea	127.66
Druglikeness	-0.67693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	2
StereoCon

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