(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C14H12NO3IS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C14H12NO3IS3
Smiles	O=C(/C(/S1)=C/c(cc2)ccc2I)N(C(CC2)CS2(=O)=O)C1=S
InChI	InChI=1S/C14H12INO3S3/c15-10-3-1-9(2-4-10)7-12-13(17)16(14(20)21-12)11-5-6-22(18,19)8-11/h1-4,7,11H,5-6,8H2/t11-/m0/s1
InChIK	ZSJSANVUFQOECW-NSHDSACASA-N
TotalMolweight	465.351
Molweight	465.351
MonoisotopicMass	464.902402
CLogP	1.1979
CLogS	-4.698
H Acceptors	4
TotalSurfaceArea	257.86
Relative PSA	0.35159
PolarSurfaceArea	120.22
Druglikeness	0.66868
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	3
Amides	1
StereoCon	racemate

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