(4Z)-1-(4-chlorophenyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazolidine-3,5-dione

Formula:C18H13N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-1-(4-chlorophenyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-1-(4-chlorophenyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazolidine-3,5-dione
MolecularFormula	C18H13N2O2Cl
Smiles	O=C(/C(/C1=O)=C/C=C/c2ccccc2)NN1c(cc1)ccc1Cl
InChI	InChI=1S/C18H13ClN2O2/c19-14-9-11-15(12-10-14)21-18(23)16(17(22)20-21)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,22)
InChIK	OFAKCWHPAYFKDB-UHFFFAOYSA-N
TotalMolweight	324.766
Molweight	324.766
MonoisotopicMass	324.066555
CLogP	2.6062
CLogS	-3.938
H Acceptors	4
H Donors	1
TotalSurfaceArea	243.41
Relative PSA	0.16881
PolarSurfaceArea	49.41
Druglikeness	4.2698
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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