5-nitro-6-[(E)-2-(2-nitrophenyl)ethenyl]-1H-pyrimidine-2,4-dione

Formula:C12H8N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-(2-nitrophenyl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(2-nitrophenyl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N4O6
Smiles	[O-][N+](c1c(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)cccc1)=O
InChI	InChI=1S/C12H8N4O6/c17-11-10(16(21)22)8(13-12(18)14-11)6-5-7-3-1-2-4-9(7)15(19)20/h1-6H,(H2,13,14,17,18)
InChIK	GYPFQPJIWFHBNP-UHFFFAOYSA-N
TotalMolweight	304.218
Molweight	304.218
MonoisotopicMass	304.044386
CLogP	-0.6256
CLogS	-3.866
H Acceptors	10
H Donors	2
TotalSurfaceArea	214.94
Relative PSA	0.51103
PolarSurfaceArea	149.84
Druglikeness	-2.8827
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

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