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

Formula:C27H19N2O3Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none (4Z)-4-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C27H19N2O3Cl
Smiles	O=C(/C(/C1=O)=C/c(cc2)cc(Cl)c2OCc2cccc3ccccc23)NN1c1ccccc1
InChI	InChI=1S/C27H19ClN2O3/c28-24-16-18(15-23-26(31)29-30(27(23)32)21-10-2-1-3-11-21)13-14-25(24)33-17-20-9-6-8-19-7-4-5-12-22(19)20/h1-16H,17H2,(H,29,31)
InChIK	JGVXSPBPDNKENQ-UHFFFAOYSA-N
TotalMolweight	454.912
Molweight	454.912
MonoisotopicMass	454.10842
CLogP	4.4921
CLogS	-6.573
H Acceptors	5
H Donors	1
TotalSurfaceArea	335.03
Relative PSA	0.15249
PolarSurfaceArea	58.64
Druglikeness	3.8558
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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