5-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]isoindole-1,3-dione

Formula:C18H10N4O7 Mutagenic:low Tumorigenic:high Reproductive Effective:none 5-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]isoindole-1,3-dione is not a drug-like molecule.

MolName	5-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]isoindole-1,3-dione
MolecularFormula	C18H10N4O7
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(-c(cc3)cc(C(N4)=O)c3C4=O)o2)NC1=O)=O
InChI	InChI=1S/C18H10N4O7/c23-15-10-4-1-8(7-11(10)16(24)20-15)13-6-3-9(29-13)2-5-12-14(22(27)28)17(25)21-18(26)19-12/h1-7H,(H,20,23,24)(H2,19,21,25,26)
InChIK	BLBHRXMEEQXVDI-UHFFFAOYSA-N
TotalMolweight	394.298
Molweight	394.298
MonoisotopicMass	394.054951
CLogP	0.316
CLogS	-5.237
H Acceptors	11
H Donors	3
TotalSurfaceArea	274.18
Relative PSA	0.47804
PolarSurfaceArea	163.33
Druglikeness	-1.3291
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	3
AcidicOxygens	1
StereoCon

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