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

Formula:C12H6N3O5Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-nitro-6-[(E)-2-(2,4,6-trichloro-3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(2,4,6-trichloro-3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C12H6N3O5Cl3
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(c(Cl)c(c(Cl)c2)O)c2Cl)NC1=O)=O
InChI	InChI=1S/C12H6Cl3N3O5/c13-5-3-6(14)10(19)8(15)4(5)1-2-7-9(18(22)23)11(20)17-12(21)16-7/h1-3,19H,(H2,16,17,20,21)
InChIK	HPIRMZZUAUMQEN-UHFFFAOYSA-N
TotalMolweight	378.555
Molweight	378.555
MonoisotopicMass	376.937303
CLogP	1.7683
CLogS	-5.318
H Acceptors	8
H Donors	3
TotalSurfaceArea	243.88
Relative PSA	0.37937
PolarSurfaceArea	124.25
Druglikeness	-2.7721
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
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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