(E)-3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one

Formula:C19H14N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-1-yl)prop-2-en-1-one
MolecularFormula	C19H14N3O2FS
Smiles	O=C(CSc(nc1)nn1C(/C=C/c(cc1)ccc1F)=O)c1ccccc1
InChI	InChI=1S/C19H14FN3O2S/c20-16-9-6-14(7-10-16)8-11-18(25)23-13-21-19(22-23)26-12-17(24)15-4-2-1-3-5-15/h1-11,13H,12H2
InChIK	NICYYRFEWPYQBP-UHFFFAOYSA-N
TotalMolweight	367.403
Molweight	367.403
MonoisotopicMass	367.079075
CLogP	3.2711
CLogS	-5.199
H Acceptors	5
TotalSurfaceArea	279.1
Relative PSA	0.25933
PolarSurfaceArea	90.15
Druglikeness	1.4907
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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