(4Z)-4-[[3-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C23H16N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[3-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-4-[[3-nitro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C23H16N4O7
Smiles	[O-][N+](c1ccc(COc(ccc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2)c2[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C23H16N4O7/c28-22-19(23(29)25(24-22)17-4-2-1-3-5-17)12-16-8-11-21(20(13-16)27(32)33)34-14-15-6-9-18(10-7-15)26(30)31/h1-13H,14H2,(H,24,28)
InChIK	LCQJDYJXULZGNY-UHFFFAOYSA-N
TotalMolweight	460.401
Molweight	460.401
MonoisotopicMass	460.101901
CLogP	0.8485
CLogS	-5.151
H Acceptors	11
H Donors	1
TotalSurfaceArea	332.35
Relative PSA	0.33678
PolarSurfaceArea	150.28
Druglikeness	-1.263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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