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

Formula:C17H17N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one
MolecularFormula	C17H17N3O5S2
Smiles	[O-][N+](c1cccc(/C=C/C(N(CC2)CCN2S(c2cccs2)(=O)=O)=O)c1)=O
InChI	InChI=1S/C17H17N3O5S2/c21-16(7-6-14-3-1-4-15(13-14)20(22)23)18-8-10-19(11-9-18)27(24,25)17-5-2-12-26-17/h1-7,12-13H,8-11H2
InChIK	NTDGEJHVMFIOKU-UHFFFAOYSA-N
TotalMolweight	407.47
Molweight	407.47
MonoisotopicMass	407.060962
CLogP	1.709
CLogS	-2.523
H Acceptors	8
TotalSurfaceArea	287.6
Relative PSA	0.34597
PolarSurfaceArea	140.13
Druglikeness	0.11076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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