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

Formula:C12H8N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(4-bromophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N3O4Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2Br)NC1=O)=O
InChI	InChI=1S/C12H8BrN3O4/c13-8-4-1-7(2-5-8)3-6-9-10(16(19)20)11(17)15-12(18)14-9/h1-6H,(H2,14,15,17,18)
InChIK	FLYDOPKYLNIQNZ-UHFFFAOYSA-N
TotalMolweight	338.117
Molweight	338.117
MonoisotopicMass	336.969818
CLogP	1.0212
CLogS	-4.24
H Acceptors	7
H Donors	2
TotalSurfaceArea	209.9
Relative PSA	0.37837
PolarSurfaceArea	104.02
Druglikeness	-4.6727
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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