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

Formula:C24H16N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-(1,3-benzodioxol-5-ylmethoxy)-5-chloro-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-(1,3-benzodioxol-5-ylmethoxy)-5-chloro-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C24H16N3O7Cl
Smiles	[O-][N+](c(cc(cc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)Cl)c1OCc(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C24H16ClN3O7/c25-16-9-15(10-18-23(29)26-27(24(18)30)17-4-2-1-3-5-17)22(19(11-16)28(31)32)33-12-14-6-7-20-21(8-14)35-13-34-20/h1-11H,12-13H2,(H,26,29)
InChIK	ZLRFCLWWVYVSPX-UHFFFAOYSA-N
TotalMolweight	493.858
Molweight	493.858
MonoisotopicMass	493.067679
CLogP	2.4875
CLogS	-6.138
H Acceptors	10
H Donors	1
TotalSurfaceArea	344.36
Relative PSA	0.29478
PolarSurfaceArea	122.92
Druglikeness	-1.2282
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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

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