4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide

Formula:C23H16N3O7ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide is not a drug-like molecule.

MolName	4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
MolecularFormula	C23H16N3O7ClS
Smiles	NS(c(cc1)ccc1N(C(/C(/C1=O)=C(/c(cc2)ccc2Cl)\O)c(cc2)ccc2[N+]([O-])=O)C1=O)(=O)=O
InChI	InChI=1S/C23H16ClN3O7S/c24-15-5-1-14(2-6-15)21(28)19-20(13-3-7-17(8-4-13)27(31)32)26(23(30)22(19)29)16-9-11-18(12-10-16)35(25,33)34/h1-12,20,28H,(H2,25,33,34)/t20-/m1/s1
InChIK	CYDFYLUOLMBSKS-HXUWFJFHSA-N
TotalMolweight	513.913
Molweight	513.913
MonoisotopicMass	513.039749
CLogP	1.8827
CLogS	-5.088
H Acceptors	10
H Donors	2
TotalSurfaceArea	343.04
Relative PSA	0.34107
PolarSurfaceArea	171.97
Druglikeness	-7.8444
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	7
Amides	2
AcidicOxygens	1
StereoCon	racemate

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