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

Formula:C28H20N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-4-[[2-(1,3-benzodioxol-5-ylmethoxy)naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-(1,3-benzodioxol-5-ylmethoxy)naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C28H20N2O5
Smiles	O=C(/C(/C1=O)=C/c(c2ccccc2cc2)c2OCc(cc2)cc3c2OCO3)NN1c1ccccc1
InChI	InChI=1S/C28H20N2O5/c31-27-23(28(32)30(29-27)20-7-2-1-3-8-20)15-22-21-9-5-4-6-19(21)11-13-24(22)33-16-18-10-12-25-26(14-18)35-17-34-25/h1-15H,16-17H2,(H,29,31)
InChIK	YOGCOPFHASAFFT-UHFFFAOYSA-N
TotalMolweight	464.476
Molweight	464.476
MonoisotopicMass	464.137223
CLogP	3.9975
CLogS	-6.548
H Acceptors	7
H Donors	1
TotalSurfaceArea	339.87
Relative PSA	0.20917
PolarSurfaceArea	77.1
Druglikeness	3.7696
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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