(4Z)-4-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C27H18N2O3Cl2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (4Z)-4-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-4-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C27H18N2O3Cl2
Smiles	O=C(/C(/C1=O)=C/c(cc2Cl)cc(Cl)c2OCc2cccc3ccccc23)NN1c1ccccc1
InChI	InChI=1S/C27H18Cl2N2O3/c28-23-14-17(13-22-26(32)30-31(27(22)33)20-10-2-1-3-11-20)15-24(29)25(23)34-16-19-9-6-8-18-7-4-5-12-21(18)19/h1-15H,16H2,(H,30,32)
InChIK	BZEUNQPMDMAPRX-UHFFFAOYSA-N
TotalMolweight	489.357
Molweight	489.357
MonoisotopicMass	488.069447
CLogP	5.0981
CLogS	-7.309
H Acceptors	5
H Donors	1
TotalSurfaceArea	350.45
Relative PSA	0.14578
PolarSurfaceArea	58.64
Druglikeness	3.8558
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	5
StereoCon

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