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

Formula:C10H6N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C10H6N4O6S
Smiles	[O-][N+](c1ccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)s1)=O
InChI	InChI=1S/C10H6N4O6S/c15-9-8(14(19)20)6(11-10(16)12-9)3-1-5-2-4-7(21-5)13(17)18/h1-4H,(H2,11,12,15,16)
InChIK	QLADZAQFWRUDFX-UHFFFAOYSA-N
TotalMolweight	310.246
Molweight	310.246
MonoisotopicMass	310.000806
CLogP	-0.5694
CLogS	-4.026
H Acceptors	10
H Donors	2
TotalSurfaceArea	210.88
Relative PSA	0.61741
PolarSurfaceArea	178.08
Druglikeness	-1.544
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

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