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

Formula:C12H8N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3-bromo-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(3-bromo-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H8N3O5Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)cc(Br)c2O)NC1=O)=O
InChI	InChI=1S/C12H8BrN3O5/c13-7-5-6(2-4-9(7)17)1-3-8-10(16(20)21)11(18)15-12(19)14-8/h1-5,17H,(H2,14,15,18,19)
InChIK	UCKWOQZFDRKOMP-UHFFFAOYSA-N
TotalMolweight	354.116
Molweight	354.116
MonoisotopicMass	352.964733
CLogP	0.6755
CLogS	-3.944
H Acceptors	8
H Donors	3
TotalSurfaceArea	216.25
Relative PSA	0.42784
PolarSurfaceArea	124.25
Druglikeness	-4.6402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | 6-[(E)-2-(3-bromo-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments