4-amino-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Formula:C12H10N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-amino-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one is a drug-like molecule.

MolName	4-amino-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
MolecularFormula	C12H10N4O3S
Smiles	NN(C(C(/C=C/c(cc1)cc2c1OCO2)=NN1)=O)C1=S
InChI	InChI=1S/C12H10N4O3S/c13-16-11(17)8(14-15-12(16)20)3-1-7-2-4-9-10(5-7)19-6-18-9/h1-5H,6,13H2,(H,15,20)
InChIK	QXXROSYEGYCRLH-UHFFFAOYSA-N
TotalMolweight	290.302
Molweight	290.302
MonoisotopicMass	290.047361
CLogP	0.1757
CLogS	-3.715
H Acceptors	7
H Donors	2
TotalSurfaceArea	210.23
Relative PSA	0.48913
PolarSurfaceArea	121.27
Druglikeness	2.0869
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
StereoCon

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