(4E)-5-(4-nitrophenyl)-4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one

Formula:C31H20N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-5-(4-nitrophenyl)-4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one is not a drug-like molecule.

MolName	(4E)-5-(4-nitrophenyl)-4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one
MolecularFormula	C31H20N6O6
Smiles	[O-][N+](c(cc1)ccc1C(C(/C=C(\C(c(cc1)ccc1[N+]([O-])=O)=NN1c2ccccc2)/C1=O)C1=O)=NN1c1ccccc1)=O
InChI	InChI=1S/C31H20N6O6/c38-30-26(28(20-11-15-24(16-12-20)36(40)41)32-34(30)22-7-3-1-4-8-22)19-27-29(21-13-17-25(18-14-21)37(42)43)33-35(31(27)39)23-9-5-2-6-10-23/h1-19,26H/t26-/m0/s1
InChIK	YUQGVSYGMCNCED-SANMLTNESA-N
TotalMolweight	572.536
Molweight	572.536
MonoisotopicMass	572.144434
CLogP	4.1589
CLogS	-7.136
H Acceptors	12
TotalSurfaceArea	412.13
Relative PSA	0.28399
PolarSurfaceArea	156.98
Druglikeness	-0.85583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.39535
Fragments	1
Non HAtoms	43
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	8
AcidicOxygens	2
StereoCon	racemate

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