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

Formula:C12H7N4O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3-bromo-2-hydroxy-5-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is not a drug-like molecule.

MolName	6-[(E)-2-(3-bromo-2-hydroxy-5-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N4O7Br
Smiles	[O-][N+](c(cc1/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)cc(Br)c1O)=O
InChI	InChI=1S/C12H7BrN4O7/c13-7-4-6(16(21)22)3-5(10(7)18)1-2-8-9(17(23)24)11(19)15-12(20)14-8/h1-4,18H,(H2,14,15,19,20)
InChIK	BCMXQQGPOPQGQL-UHFFFAOYSA-N
TotalMolweight	399.113
Molweight	399.113
MonoisotopicMass	397.949812
CLogP	-0.2461
CLogS	-4.404
H Acceptors	11
H Donors	3
TotalSurfaceArea	239.92
Relative PSA	0.51242
PolarSurfaceArea	170.07
Druglikeness	-4.6402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	12
Electronegative Atoms	12
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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