(5E)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C12H8NOBrS2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (5E)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C12H8NOBrS2
Smiles	O=C(/C(/S1)=C\C(\Br)=C\c2ccccc2)NC1=S
InChI	InChI=1S/C12H8BrNOS2/c13-9(6-8-4-2-1-3-5-8)7-10-11(15)14-12(16)17-10/h1-7H,(H,14,15,16)
InChIK	VAKJLUDZHDMEAC-UHFFFAOYSA-N
TotalMolweight	326.238
Molweight	326.238
MonoisotopicMass	324.923065
CLogP	2.3934
CLogS	-4.645
H Acceptors	2
H Donors	1
TotalSurfaceArea	207.22
Relative PSA	0.33776
PolarSurfaceArea	86.49
Druglikeness	-3.0189
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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