[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea

Formula:C11H10N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea is a drug-like molecule.

MolName	[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea
MolecularFormula	C11H10N4OS
Smiles	NC(N/C=C/C1=Nc(cccc2)c2NC1=O)=S
InChI	InChI=1S/C11H10N4OS/c12-11(17)13-6-5-9-10(16)15-8-4-2-1-3-7(8)14-9/h1-6H,(H,15,16)(H3,12,13,17)
InChIK	LAIAYTVIGBPZFH-UHFFFAOYSA-N
TotalMolweight	246.293
Molweight	246.293
MonoisotopicMass	246.057531
CLogP	-0.4722
CLogS	-2.62
H Acceptors	5
H Donors	3
TotalSurfaceArea	191.13
Relative PSA	0.47476
PolarSurfaceArea	111.6
Druglikeness	3.0731
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	1
StereoCon

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