(E)-1-(5-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one

Formula:C12H9N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(5-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(5-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C12H9N3OS2
Smiles	C#CCSc1ncnn1C(/C=C/c1cccs1)=O
InChI	InChI=1S/C12H9N3OS2/c1-2-7-18-12-13-9-14-15(12)11(16)6-5-10-4-3-8-17-10/h1,3-6,8-9H,7H2
InChIK	IDMXFLRDTCYOGL-UHFFFAOYSA-N
TotalMolweight	275.355
Molweight	275.355
MonoisotopicMass	275.018702
CLogP	2.1042
CLogS	-3.903
H Acceptors	4
TotalSurfaceArea	214.99
Relative PSA	0.37071
PolarSurfaceArea	101.32
Druglikeness	3.84
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Aromatic Nitrogens	3
StereoCon

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