(3Z)-4-(4-chlorophenyl)-3-[(2-nitrophenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione

Formula:C31H20N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-4-(4-chlorophenyl)-3-[(2-nitrophenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione is not a drug-like molecule.

MolName	(3Z)-4-(4-chlorophenyl)-3-[(2-nitrophenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
MolecularFormula	C31H20N3O4Cl
Smiles	[O-][N+](c1c(/C=C(/C(C(c(cc2)ccc2Cl)N(C2=O)c3ccccc3)=C2N2c3ccccc3)\C2=O)cccc1)=O
InChI	InChI=1S/C31H20ClN3O4/c32-22-17-15-20(16-18-22)28-27-25(19-21-9-7-8-14-26(21)35(38)39)30(36)34(24-12-5-2-6-13-24)29(27)31(37)33(28)23-10-3-1-4-11-23/h1-19,28H/t28-/m1/s1
InChIK	VNOIODFQVXPJNU-MUUNZHRXSA-N
TotalMolweight	533.97
Molweight	533.97
MonoisotopicMass	533.114234
CLogP	5.2972
CLogS	-7.404
H Acceptors	7
TotalSurfaceArea	380.86
Relative PSA	0.16699
PolarSurfaceArea	86.44
Druglikeness	-1.1381
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.33333
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon	racemate

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1 - (3Z)-4-(4-chlorophenyl)-3-[(2-nitrophenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione | 2 - (3Z)-4-(4-chlorophenyl)-3-[(2-nitrophenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione

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