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

Formula:C16H9N2O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-1-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4E)-1-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methylidene]pyrazolidine-3,5-dione
MolecularFormula	C16H9N2O2Cl3
Smiles	O=C(/C(/C1=O)=C\c(ccc(Cl)c2)c2Cl)NN1c(cc1)ccc1Cl
InChI	InChI=1S/C16H9Cl3N2O2/c17-10-3-5-12(6-4-10)21-16(23)13(15(22)20-21)7-9-1-2-11(18)8-14(9)19/h1-8H,(H,20,22)
InChIK	RAOLOGDQERKFEE-UHFFFAOYSA-N
TotalMolweight	367.618
Molweight	367.618
MonoisotopicMass	365.972959
CLogP	3.1616
CLogS	-5.098
H Acceptors	4
H Donors	1
TotalSurfaceArea	247.75
Relative PSA	0.16585
PolarSurfaceArea	49.41
Druglikeness	4.1392
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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