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

Formula:C10H6N3O5Br Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-2-(5-bromofuran-2-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(5-bromofuran-2-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C10H6N3O5Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(o2)ccc2Br)NC1=O)=O
InChI	InChI=1S/C10H6BrN3O5/c11-7-4-2-5(19-7)1-3-6-8(14(17)18)9(15)13-10(16)12-6/h1-4H,(H2,12,13,15,16)
InChIK	MRXOBOWXEMGCBE-UHFFFAOYSA-N
TotalMolweight	328.078
Molweight	328.078
MonoisotopicMass	326.949083
CLogP	0.3073
CLogS	-3.685
H Acceptors	8
H Donors	2
TotalSurfaceArea	199.59
Relative PSA	0.46861
PolarSurfaceArea	117.16
Druglikeness	-4.9176
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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