6-[(E)-2-[5-(3-bromophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C16H10N3O5Br Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-2-[5-(3-bromophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[5-(3-bromophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C16H10N3O5Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(-c3cccc(Br)c3)o2)NC1=O)=O
InChI	InChI=1S/C16H10BrN3O5/c17-10-3-1-2-9(8-10)13-7-5-11(25-13)4-6-12-14(20(23)24)15(21)19-16(22)18-12/h1-8H,(H2,18,19,21,22)
InChIK	BWIGCSYDRCOFBE-UHFFFAOYSA-N
TotalMolweight	404.175
Molweight	404.175
MonoisotopicMass	402.980383
CLogP	1.9601
CLogS	-5.7
H Acceptors	8
H Donors	2
TotalSurfaceArea	259.35
Relative PSA	0.36063
PolarSurfaceArea	117.16
Druglikeness	-3.4076
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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