2-[(5E)-5-[(3-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione

Formula:C18H9N2O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(5E)-5-[(3-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione is a drug-like molecule.

MolName	2-[(5E)-5-[(3-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione
MolecularFormula	C18H9N2O3ClS2
Smiles	O=C(/C(/SC1=S)=C\c2cccc(Cl)c2)N1N(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C18H9ClN2O3S2/c19-11-5-3-4-10(8-11)9-14-17(24)21(18(25)26-14)20-15(22)12-6-1-2-7-13(12)16(20)23/h1-9H
InChIK	NRGQXSOXVYZITN-UHFFFAOYSA-N
TotalMolweight	400.865
Molweight	400.865
MonoisotopicMass	399.97431
CLogP	1.5273
CLogS	-5.281
H Acceptors	5
TotalSurfaceArea	270.2
Relative PSA	0.33942
PolarSurfaceArea	115.08
Druglikeness	3.1506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
StereoCon

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