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

Formula:C12H7N5O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(2-hydroxy-3,5-dinitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is not a drug-like molecule.

MolName	6-[(E)-2-(2-hydroxy-3,5-dinitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N5O9
Smiles	[O-][N+](c(cc1[N+]([O-])=O)cc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)c1O)=O
InChI	InChI=1S/C12H7N5O9/c18-10-5(3-6(15(21)22)4-8(10)16(23)24)1-2-7-9(17(25)26)11(19)14-12(20)13-7/h1-4,18H,(H2,13,14,19,20)
InChIK	DLGDSYKXOPUFPP-UHFFFAOYSA-N
TotalMolweight	365.214
Molweight	365.214
MonoisotopicMass	365.02438
CLogP	-1.8929
CLogS	-4.03
H Acceptors	14
H Donors	3
TotalSurfaceArea	244.96
Relative PSA	0.62606
PolarSurfaceArea	215.89
Druglikeness	-2.8502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	2
AcidicOxygens	3
StereoCon

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