(4Z)-4-[[5-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C21H13N5O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[5-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-4-[[5-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C21H13N5O7
Smiles	[O-][N+](c(cc1)cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1Oc(cc1)ncc1[N+]([O-])=O)=O
InChI	InChI=1S/C21H13N5O7/c27-20-17(21(28)24(23-20)14-4-2-1-3-5-14)11-13-10-15(25(29)30)6-8-18(13)33-19-9-7-16(12-22-19)26(31)32/h1-12H,(H,23,27)
InChIK	NLYABZNAYYDMTJ-UHFFFAOYSA-N
TotalMolweight	447.362
Molweight	447.362
MonoisotopicMass	447.0815
CLogP	0.2465
CLogS	-5.837
H Acceptors	12
H Donors	1
TotalSurfaceArea	317.35
Relative PSA	0.38727
PolarSurfaceArea	163.17
Druglikeness	-1.0687
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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