(4E)-1-(3-chlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione

Formula:C16H10N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-1-(3-chlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4E)-1-(3-chlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione
MolecularFormula	C16H10N3O5Cl
Smiles	[O-][N+](c(cc1)cc(/C=C(\C(NN2c3cccc(Cl)c3)=O)/C2=O)c1O)=O
InChI	InChI=1S/C16H10ClN3O5/c17-10-2-1-3-11(8-10)19-16(23)13(15(22)18-19)7-9-6-12(20(24)25)4-5-14(9)21/h1-8,21H,(H,18,22)
InChIK	SLIPKNBXCYYNJH-UHFFFAOYSA-N
TotalMolweight	359.724
Molweight	359.724
MonoisotopicMass	359.030899
CLogP	0.6823
CLogS	-3.79
H Acceptors	8
H Donors	2
TotalSurfaceArea	246.93
Relative PSA	0.34265
PolarSurfaceArea	115.46
Druglikeness	-0.97193
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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