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

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

MolName	(E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C23H21N3O5S
Smiles	[O-][N+](c1cccc(/C=C/C(N(CC2)CCN2S(c2cc3ccccc3cc2)(=O)=O)=O)c1)=O
InChI	InChI=1S/C23H21N3O5S/c27-23(11-8-18-4-3-7-21(16-18)26(28)29)24-12-14-25(15-13-24)32(30,31)22-10-9-19-5-1-2-6-20(19)17-22/h1-11,16-17H,12-15H2
InChIK	HWOXELBYRJZGTO-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	-1.7457
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
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	3
Amides	2
AcidicOxygens	1
StereoCon

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