N'-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]ethanedithioamide

Formula:C12H10N4OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N'-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]ethanedithioamide is a drug-like molecule.

MolName	N'-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]ethanedithioamide
MolecularFormula	C12H10N4OS2
Smiles	NC(C(N/C=C/C1=Nc(cccc2)c2NC1=O)=S)=S
InChI	InChI=1S/C12H10N4OS2/c13-10(18)12(19)14-6-5-9-11(17)16-8-4-2-1-3-7(8)15-9/h1-6H,(H2,13,18)(H,14,19)(H,16,17)
InChIK	HGTQMSFMGWXSOL-UHFFFAOYSA-N
TotalMolweight	290.37
Molweight	290.37
MonoisotopicMass	290.029601
CLogP	-0.9745
CLogS	-3.698
H Acceptors	5
H Donors	3
TotalSurfaceArea	223.84
Relative PSA	0.53047
PolarSurfaceArea	143.69
Druglikeness	2.8902
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
StereoCon

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