(3E,6E)-3,6-bis[(3-nitrophenyl)methylidene]piperazine-2,5-dione

Formula:C18H12N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E,6E)-3,6-bis[(3-nitrophenyl)methylidene]piperazine-2,5-dione is a drug-like molecule.

MolName	(3E,6E)-3,6-bis[(3-nitrophenyl)methylidene]piperazine-2,5-dione
MolecularFormula	C18H12N4O6
Smiles	[O-][N+](c1cccc(/C=C(\C(N/C2=C/c3cccc([N+]([O-])=O)c3)=O)/NC2=O)c1)=O
InChI	InChI=1S/C18H12N4O6/c23-17-15(9-11-3-1-5-13(7-11)21(25)26)19-18(24)16(20-17)10-12-4-2-6-14(8-12)22(27)28/h1-10H,(H,19,24)(H,20,23)
InChIK	PWNGPZUJGFNYEJ-UHFFFAOYSA-N
TotalMolweight	380.315
Molweight	380.315
MonoisotopicMass	380.075686
CLogP	0.4294
CLogS	-4.94
H Acceptors	10
H Donors	2
TotalSurfaceArea	274.7
Relative PSA	0.39985
PolarSurfaceArea	149.84
Druglikeness	-2.1178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	14
Amides	2
AcidicOxygens	2
StereoCon

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