(4Z)-1-(4-chlorophenyl)-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione

Formula:C16H9N2O3Cl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (4Z)-1-(4-chlorophenyl)-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-1-(4-chlorophenyl)-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione
MolecularFormula	C16H9N2O3Cl3
Smiles	Oc(c(/C=C(/C(NN1c(cc2)ccc2Cl)=O)\C1=O)cc(Cl)c1)c1Cl
InChI	InChI=1S/C16H9Cl3N2O3/c17-9-1-3-11(4-2-9)21-16(24)12(15(23)20-21)6-8-5-10(18)7-13(19)14(8)22/h1-7,22H,(H,20,23)
InChIK	MNKZNRNUAJMKEY-UHFFFAOYSA-N
TotalMolweight	383.617
Molweight	383.617
MonoisotopicMass	381.967874
CLogP	2.8159
CLogS	-4.802
H Acceptors	5
H Donors	2
TotalSurfaceArea	254.1
Relative PSA	0.21326
PolarSurfaceArea	69.64
Druglikeness	4.1295
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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