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

Formula:C24H17N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C24H17N3O7
Smiles	[O-][N+](c(cccc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OCc(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C24H17N3O7/c28-23-18(24(29)26(25-23)17-6-2-1-3-7-17)12-16-5-4-8-19(27(30)31)22(16)32-13-15-9-10-20-21(11-15)34-14-33-20/h1-12H,13-14H2,(H,25,28)
InChIK	BBYNQZUTJWBLEG-UHFFFAOYSA-N
TotalMolweight	459.413
Molweight	459.413
MonoisotopicMass	459.106652
CLogP	1.8815
CLogS	-5.402
H Acceptors	10
H Donors	1
TotalSurfaceArea	328.94
Relative PSA	0.3086
PolarSurfaceArea	122.92
Druglikeness	-1.2885
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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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