(5Z)-3-(hydroxymethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

Formula:C9H7NO2S3 Mutagenic:low Tumorigenic:high Reproductive Effective:high (5Z)-3-(hydroxymethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(hydroxymethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
MolecularFormula	C9H7NO2S3
Smiles	OCN(C(/C(/S1)=C/c2cccs2)=O)C1=S
InChI	InChI=1S/C9H7NO2S3/c11-5-10-8(12)7(15-9(10)13)4-6-2-1-3-14-6/h1-4,11H,5H2
InChIK	GHSQLQXQKVSCKH-UHFFFAOYSA-N
TotalMolweight	257.358
Molweight	257.358
MonoisotopicMass	256.963889
CLogP	0.7627
CLogS	-3.47
H Acceptors	3
H Donors	1
TotalSurfaceArea	178.77
Relative PSA	0.53443
PolarSurfaceArea	126.17
Druglikeness	3.3608
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	formaldehyde aduct
Shape Index	0.6
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	4
Amides	1
StereoCon

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