2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione

Formula:C18H10N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione is a drug-like molecule.

MolName	2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione
MolecularFormula	C18H10N2O3S2
Smiles	O=C(/C(/SC1=S)=C/c2ccccc2)N1N(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C18H10N2O3S2/c21-15-12-8-4-5-9-13(12)16(22)19(15)20-17(23)14(25-18(20)24)10-11-6-2-1-3-7-11/h1-10H
InChIK	NUCJIXCVJJVOTF-UHFFFAOYSA-N
TotalMolweight	366.42
Molweight	366.42
MonoisotopicMass	366.013283
CLogP	0.9213
CLogS	-4.545
H Acceptors	5
TotalSurfaceArea	254.78
Relative PSA	0.35996
PolarSurfaceArea	115.08
Druglikeness	3.0962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	7
StereoCon

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