3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Formula:C13H14N4O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
MolecularFormula	C13H14N4O5
Smiles	[O-][N+](c1ccc(/C=N\N(C(C2(CCCCC2)N2)=O)C2=O)o1)=O
InChI	InChI=1S/C13H14N4O5/c18-11-13(6-2-1-3-7-13)15-12(19)16(11)14-8-9-4-5-10(22-9)17(20)21/h4-5,8H,1-3,6-7H2,(H,15,19)
InChIK	GTQBCDXGOHIBJC-UHFFFAOYSA-N
TotalMolweight	306.277
Molweight	306.277
MonoisotopicMass	306.096421
CLogP	0.7693
CLogS	-4.403
H Acceptors	9
H Donors	1
TotalSurfaceArea	220.85
Relative PSA	0.4398
PolarSurfaceArea	120.73
Druglikeness	0.37951
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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