6-hydroxy-5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-1H-pyrimidine-2,4-dione

Formula:C13H8N2O4S Mutagenic:low Tumorigenic:none Reproductive Effective:none 6-hydroxy-5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-hydroxy-5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C13H8N2O4S
Smiles	OC(NC(N1)=O)=C(/C=C2\Sc(cccc3)c3C2=O)C1=O
InChI	InChI=1S/C13H8N2O4S/c16-10-6-3-1-2-4-8(6)20-9(10)5-7-11(17)14-13(19)15-12(7)18/h1-5H,(H3,14,15,17,18,19)
InChIK	AYYWSMQOAFCLGA-UHFFFAOYSA-N
TotalMolweight	288.283
Molweight	288.283
MonoisotopicMass	288.020478
CLogP	0.5652
CLogS	-4.911
H Acceptors	6
H Donors	3
TotalSurfaceArea	193.9
Relative PSA	0.47772
PolarSurfaceArea	120.8
Druglikeness	5.004
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	polar activated DB
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
StereoCon

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