(5E)-5-(furan-2-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Formula:C15H9N3O6 Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-(furan-2-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-(furan-2-ylmethylidene)-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C15H9N3O6
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccco2)=O)C1=O)=O
InChI	InChI=1S/C15H9N3O6/c19-13-12(8-11-2-1-7-24-11)14(20)17(15(21)16-13)9-3-5-10(6-4-9)18(22)23/h1-8H,(H,16,19,21)
InChIK	WMBQPAVLDXHRBM-UHFFFAOYSA-N
TotalMolweight	327.251
Molweight	327.251
MonoisotopicMass	327.049137
CLogP	0.4225
CLogS	-4.029
H Acceptors	9
H Donors	1
TotalSurfaceArea	232.6
Relative PSA	0.42416
PolarSurfaceArea	125.44
Druglikeness	-0.49666
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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