(5Z)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C17H11N3O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C17H11N3O4S3
Smiles	Oc1c(/C=C(/C(N2NC(c3c4cccc3)=NS4(=O)=O)=O)\SC2=S)cccc1
InChI	InChI=1S/C17H11N3O4S3/c21-12-7-3-1-5-10(12)9-13-16(22)20(17(25)26-13)18-15-11-6-2-4-8-14(11)27(23,24)19-15/h1-9,21H,(H,18,19)
InChIK	DIWBQRDEDUNGMK-UHFFFAOYSA-N
TotalMolweight	417.489
Molweight	417.489
MonoisotopicMass	416.991167
CLogP	0.7634
CLogS	-4.394
H Acceptors	7
H Donors	2
TotalSurfaceArea	278.34
Relative PSA	0.45531
PolarSurfaceArea	164.84
Druglikeness	4.5104
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	1
BasicNitrogens	1
StereoCon

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1 - (5Z)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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