6-[(E)-2-(2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C12H8N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is not a drug-like molecule.

MolName	6-[(E)-2-(2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N4O7
Smiles	[O-][N+](c1cccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)c1O)=O
InChI	InChI=1S/C12H8N4O7/c17-10-6(2-1-3-8(10)15(20)21)4-5-7-9(16(22)23)11(18)14-12(19)13-7/h1-5,17H,(H2,13,14,18,19)
InChIK	NYNJNQUSTXDBEM-UHFFFAOYSA-N
TotalMolweight	320.217
Molweight	320.217
MonoisotopicMass	320.039301
CLogP	-0.9713
CLogS	-3.57
H Acceptors	11
H Donors	3
TotalSurfaceArea	221.29
Relative PSA	0.55556
PolarSurfaceArea	170.07
Druglikeness	-2.8502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	2
StereoCon

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