(4Z)-4-[[5-chloro-3-nitro-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C23H15N4O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[5-chloro-3-nitro-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-4-[[5-chloro-3-nitro-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C23H15N4O7Cl
Smiles	[O-][N+](c1ccc(COc(c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc(Cl)c2)c2[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C23H15ClN4O7/c24-16-10-15(11-19-22(29)25-26(23(19)30)17-4-2-1-3-5-17)21(20(12-16)28(33)34)35-13-14-6-8-18(9-7-14)27(31)32/h1-12H,13H2,(H,25,29)
InChIK	MEBRDCLNSUGTLF-UHFFFAOYSA-N
TotalMolweight	494.846
Molweight	494.846
MonoisotopicMass	494.062928
CLogP	1.4545
CLogS	-5.887
H Acceptors	11
H Donors	1
TotalSurfaceArea	347.77
Relative PSA	0.32185
PolarSurfaceArea	150.28
Druglikeness	-1.205
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
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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