(2E)-2-[(5-nitrofuran-2-yl)methylidene]-1,3-dioxoindene-5-carboxylate

Formula:C15H6NO7 Mutagenic:high Tumorigenic:high Reproductive Effective:high (2E)-2-[(5-nitrofuran-2-yl)methylidene]-1,3-dioxoindene-5-carboxylate is a drug-like molecule.

MolName	(2E)-2-[(5-nitrofuran-2-yl)methylidene]-1,3-dioxoindene-5-carboxylate
MolecularFormula	C15H6NO7
Smiles	[O-]C(c(cc1)cc(C(/C2=C/c3ccc([N+]([O-])=O)o3)=O)c1C2=O)=O
InChI	InChI=1S/C15H7NO7/c17-13-9-3-1-7(15(19)20)5-10(9)14(18)11(13)6-8-2-4-12(23-8)16(21)22/h1-6H,(H,19,20)/p-1
InChIK	TXWYWUABIONRHL-UHFFFAOYSA-M
TotalMolweight	312.213
Molweight	312.213
MonoisotopicMass	312.014429
CLogP	-0.8524
CLogS	-4.874
H Acceptors	8
TotalSurfaceArea	218.37
Relative PSA	0.44846
PolarSurfaceArea	133.23
Druglikeness	-2.0783
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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