4-amino-3-sulfanylidene-6-[(E)-2-thiophen-2-ylethenyl]-2H-1,2,4-triazin-5-one

Formula:C9H8N4OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-amino-3-sulfanylidene-6-[(E)-2-thiophen-2-ylethenyl]-2H-1,2,4-triazin-5-one is a drug-like molecule.

MolName	4-amino-3-sulfanylidene-6-[(E)-2-thiophen-2-ylethenyl]-2H-1,2,4-triazin-5-one
MolecularFormula	C9H8N4OS2
Smiles	NN(C(C(/C=C/c1cccs1)=NN1)=O)C1=S
InChI	InChI=1S/C9H8N4OS2/c10-13-8(14)7(11-12-9(13)15)4-3-6-2-1-5-16-6/h1-5H,10H2,(H,12,15)
InChIK	WKYZPYZXSHGNKQ-UHFFFAOYSA-N
TotalMolweight	252.322
Molweight	252.322
MonoisotopicMass	252.013951
CLogP	-0.0691
CLogS	-3.014
H Acceptors	5
H Donors	2
TotalSurfaceArea	185.91
Relative PSA	0.55505
PolarSurfaceArea	131.05
Druglikeness	3.8152
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
StereoCon

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