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

Formula:C24H17N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C24H17N2O5Br
Smiles	O=C(/C(/C1=O)=C/c(cc2)cc(Br)c2OCc(cc2)cc3c2OCO3)NN1c1ccccc1
InChI	InChI=1S/C24H17BrN2O5/c25-19-11-15(10-18-23(28)26-27(24(18)29)17-4-2-1-3-5-17)6-8-20(19)30-13-16-7-9-21-22(12-16)32-14-31-21/h1-12H,13-14H2,(H,26,28)
InChIK	ZJPWVKHNWGEWEY-UHFFFAOYSA-N
TotalMolweight	493.312
Molweight	493.312
MonoisotopicMass	492.032084
CLogP	3.5283
CLogS	-5.776
H Acceptors	7
H Donors	1
TotalSurfaceArea	323.9
Relative PSA	0.21948
PolarSurfaceArea	77.1
Druglikeness	1.9796
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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

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