8-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione

Formula:C15H13NO7 Mutagenic:low Tumorigenic:high Reproductive Effective:none 8-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione is a drug-like molecule.

MolName	8-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
MolecularFormula	C15H13NO7
Smiles	[O-][N+](c1ccc(/C=C/C=C(C(OC2(CCCC2)O2)=O)C2=O)o1)=O
InChI	InChI=1S/C15H13NO7/c17-13-11(14(18)23-15(22-13)8-1-2-9-15)5-3-4-10-6-7-12(21-10)16(19)20/h3-7H,1-2,8-9H2
InChIK	JKHXYYXAKJRYHD-UHFFFAOYSA-N
TotalMolweight	319.268
Molweight	319.268
MonoisotopicMass	319.069204
CLogP	1.0953
CLogS	-4.173
H Acceptors	8
TotalSurfaceArea	231.78
Relative PSA	0.39093
PolarSurfaceArea	111.56
Druglikeness	-10.875
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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