(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one

Formula:C13H8N2O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none (1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one is a drug-like molecule.

MolName	(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one
MolecularFormula	C13H8N2O7
Smiles	[O-][N+](c1ccc(/C=C/C(/C=C/c2ccc([N+]([O-])=O)o2)=O)o1)=O
InChI	InChI=1S/C13H8N2O7/c16-9(1-3-10-5-7-12(21-10)14(17)18)2-4-11-6-8-13(22-11)15(19)20/h1-8H
InChIK	LUWVSMYASMXSJY-UHFFFAOYSA-N
TotalMolweight	304.214
Molweight	304.214
MonoisotopicMass	304.033153
CLogP	1.1616
CLogS	-5.32
H Acceptors	9
TotalSurfaceArea	230.49
Relative PSA	0.44297
PolarSurfaceArea	134.99
Druglikeness	-1.9264
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Symmetricatoms	10
AcidicOxygens	2
StereoCon

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