(E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one

Formula:C23H21N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C23H21N3O5S
Smiles	[O-][N+](c1ccc(/C=C/C(N(CC2)CCN2S(c2cc3ccccc3cc2)(=O)=O)=O)cc1)=O
InChI	InChI=1S/C23H21N3O5S/c27-23(12-7-18-5-9-21(10-6-18)26(28)29)24-13-15-25(16-14-24)32(30,31)22-11-8-19-3-1-2-4-20(19)17-22/h1-12,17H,13-16H2
InChIK	LBSKLDZTQVBEOO-UHFFFAOYSA-N
TotalMolweight	451.502
Molweight	451.502
MonoisotopicMass	451.120192
CLogP	2.9143
CLogS	-4.212
H Acceptors	8
TotalSurfaceArea	326.26
Relative PSA	0.24257
PolarSurfaceArea	111.89
Druglikeness	-6.8511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon

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