(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C20H14N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H14N4O6
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)ccc1)=O
InChI	InChI=1S/C20H14N4O6/c25-18-17(19(26)23(20(27)21-18)12-16-4-2-10-30-16)11-15-3-1-9-22(15)13-5-7-14(8-6-13)24(28)29/h1-11H,12H2,(H,21,25,27)
InChIK	MWAZEOOYNQSVHV-UHFFFAOYSA-N
TotalMolweight	406.353
Molweight	406.353
MonoisotopicMass	406.091336
CLogP	0.5843
CLogS	-5.844
H Acceptors	10
H Donors	1
TotalSurfaceArea	295.32
Relative PSA	0.35734
PolarSurfaceArea	130.37
Druglikeness	0.69903
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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