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

Formula:C14H11N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-(5-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-phenyl-1-(5-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C14H11N3OS
Smiles	C#CCSc1ncnn1C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C14H11N3OS/c1-2-10-19-14-15-11-16-17(14)13(18)9-8-12-6-4-3-5-7-12/h1,3-9,11H,10H2
InChIK	FRPXLCWZEKLPFY-UHFFFAOYSA-N
TotalMolweight	269.327
Molweight	269.327
MonoisotopicMass	269.062282
CLogP	2.2376
CLogS	-3.893
H Acceptors	4
TotalSurfaceArea	219.05
Relative PSA	0.2709
PolarSurfaceArea	73.08
Druglikeness	2.4597
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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