(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C16H10N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C16H10N2O2Cl2
Smiles	O=C(/C(/C1=O)=C/c(cc2)cc(Cl)c2Cl)NN1c1ccccc1
InChI	InChI=1S/C16H10Cl2N2O2/c17-13-7-6-10(9-14(13)18)8-12-15(21)19-20(16(12)22)11-4-2-1-3-5-11/h1-9H,(H,19,21)
InChIK	DAGYPZRNJASYRF-UHFFFAOYSA-N
TotalMolweight	333.173
Molweight	333.173
MonoisotopicMass	332.011932
CLogP	2.5556
CLogS	-4.362
H Acceptors	4
H Donors	1
TotalSurfaceArea	232.33
Relative PSA	0.17686
PolarSurfaceArea	49.41
Druglikeness	4.1392
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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