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

Formula:C12H7N3O5BrI Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(5-bromo-2-hydroxy-3-iodophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(5-bromo-2-hydroxy-3-iodophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N3O5BrI
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cc(Br)cc(I)c2O)NC1=O)=O
InChI	InChI=1S/C12H7BrIN3O5/c13-6-3-5(10(18)7(14)4-6)1-2-8-9(17(21)22)11(19)16-12(20)15-8/h1-4,18H,(H2,15,16,19,20)
InChIK	IQWWALKXNMBAMU-UHFFFAOYSA-N
TotalMolweight	480.008
Molweight	480.008
MonoisotopicMass	478.861381
CLogP	1.1126
CLogS	-4.96
H Acceptors	8
H Donors	3
TotalSurfaceArea	242.53
Relative PSA	0.38148
PolarSurfaceArea	124.25
Druglikeness	-4.1192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
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	2
Amides	2
AcidicOxygens	1
StereoCon

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