(5Z)-3-[[(2S)-oxolan-2-yl]methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C17H17NO2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[[(2S)-oxolan-2-yl]methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-[[(2S)-oxolan-2-yl]methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C17H17NO2S2
Smiles	O=C(/C(/S1)=C/C=C/c2ccccc2)N(C[C@H]2OCCC2)C1=S
InChI	InChI=1S/C17H17NO2S2/c19-16-15(10-4-8-13-6-2-1-3-7-13)22-17(21)18(16)12-14-9-5-11-20-14/h1-4,6-8,10,14H,5,9,11-12H2/t14-/m0/s1
InChIK	IEVDSMZLFHKILP-AWEZNQCLSA-N
TotalMolweight	331.459
Molweight	331.459
MonoisotopicMass	331.070069
CLogP	2.3535
CLogS	-4.135
H Acceptors	3
TotalSurfaceArea	253.26
Relative PSA	0.28461
PolarSurfaceArea	86.93
Druglikeness	2.9916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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