(4Z)-4-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C27H18N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:low (4Z)-4-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-4-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C27H18N2O3Cl2
Smiles	O=C(/C(/C1=O)=C/c(c2ccccc2cc2)c2OCc(cc2)cc(Cl)c2Cl)NN1c1ccccc1
InChI	InChI=1S/C27H18Cl2N2O3/c28-23-12-10-17(14-24(23)29)16-34-25-13-11-18-6-4-5-9-20(18)21(25)15-22-26(32)30-31(27(22)33)19-7-2-1-3-8-19/h1-15H,16H2,(H,30,32)
InChIK	CXSVQXZCOHWWHC-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	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
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	2
StereoCon

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