(5R)-5-butyl-5-ethyl-2-phenyl-1,2,4-triazolidine-3-thione

Formula:C14H21N3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (5R)-5-butyl-5-ethyl-2-phenyl-1,2,4-triazolidine-3-thione is a drug-like molecule.

MolName	(5R)-5-butyl-5-ethyl-2-phenyl-1,2,4-triazolidine-3-thione
MolecularFormula	C14H21N3S
Smiles	CCCC[C@](CC)(NC1=S)NN1c1ccccc1
InChI	InChI=1S/C14H21N3S/c1-3-5-11-14(4-2)15-13(18)17(16-14)12-9-7-6-8-10-12/h6-10,16H,3-5,11H2,1-2H3,(H,15,18)/t14-/m1/s1
InChIK	AOXFDODDALRNGG-CQSZACIVSA-N
TotalMolweight	263.408
Molweight	263.408
MonoisotopicMass	263.145617
CLogP	3.0455
CLogS	-3.455
H Acceptors	3
H Donors	2
TotalSurfaceArea	215.66
Relative PSA	0.25257
PolarSurfaceArea	59.39
Druglikeness	-2.8579
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	thio-amide/urea
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
StereoCon	this enantiomer

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