2-[[(5E)-5-[(3-nitrophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Formula:C13H10N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5E)-5-[(3-nitrophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	2-[[(5E)-5-[(3-nitrophenyl)methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
MolecularFormula	C13H10N4O5S
Smiles	NC(CSC(NC(/C1=C\c2cc([N+]([O-])=O)ccc2)=O)=NC1=O)=O
InChI	InChI=1S/C13H10N4O5S/c14-10(18)6-23-13-15-11(19)9(12(20)16-13)5-7-2-1-3-8(4-7)17(21)22/h1-5H,6H2,(H2,14,18)(H,15,16,19,20)
InChIK	KFKGXAFLPUIISG-UHFFFAOYSA-N
TotalMolweight	334.311
Molweight	334.311
MonoisotopicMass	334.037191
CLogP	-1.1341
CLogS	-3.332
H Acceptors	9
H Donors	2
TotalSurfaceArea	235.59
Relative PSA	0.53173
PolarSurfaceArea	172.74
Druglikeness	-1.1233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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