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

Formula:C12H8N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(5-bromo-2,4-dihydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(5-bromo-2,4-dihydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N3O6Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(c(O)c2)cc(Br)c2O)NC1=O)=O
InChI	InChI=1S/C12H8BrN3O6/c13-6-3-5(8(17)4-9(6)18)1-2-7-10(16(21)22)11(19)15-12(20)14-7/h1-4,17-18H,(H2,14,15,19,20)
InChIK	QSKUFCBPRNARPZ-UHFFFAOYSA-N
TotalMolweight	370.115
Molweight	370.115
MonoisotopicMass	368.959648
CLogP	0.3298
CLogS	-3.648
H Acceptors	9
H Donors	4
TotalSurfaceArea	222.6
Relative PSA	0.47448
PolarSurfaceArea	144.48
Druglikeness	-4.6402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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