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

Formula:C12H7N4O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N4O6Br
Smiles	[O-][N+](c(cc(/C=C/C(NC(NC1=O)=O)=C1[N+]([O-])=O)cc1)c1Br)=O
InChI	InChI=1S/C12H7BrN4O6/c13-7-3-1-6(5-9(7)16(20)21)2-4-8-10(17(22)23)11(18)15-12(19)14-8/h1-5H,(H2,14,15,18,19)
InChIK	AHYFOXOHYKIWLH-UHFFFAOYSA-N
TotalMolweight	383.114
Molweight	383.114
MonoisotopicMass	381.954897
CLogP	0.0996
CLogS	-4.7
H Acceptors	10
H Donors	2
TotalSurfaceArea	233.57
Relative PSA	0.47027
PolarSurfaceArea	149.84
Druglikeness	-4.6727
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	2
Amides	2
AcidicOxygens	2
StereoCon

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