(2Z,5Z)-5-[(4-bromophenyl)methylidene]-2-(2-oxocyclopentylidene)-3-phenyl-1,3-thiazolidin-4-one

Formula:C21H16NO2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z,5Z)-5-[(4-bromophenyl)methylidene]-2-(2-oxocyclopentylidene)-3-phenyl-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(2Z,5Z)-5-[(4-bromophenyl)methylidene]-2-(2-oxocyclopentylidene)-3-phenyl-1,3-thiazolidin-4-one
MolecularFormula	C21H16NO2BrS
Smiles	O=C(CCC1)/C1=C(/N(C1=O)c2ccccc2)\S/C1=C\c(cc1)ccc1Br
InChI	InChI=1S/C21H16BrNO2S/c22-15-11-9-14(10-12-15)13-19-20(25)23(16-5-2-1-3-6-16)21(26-19)17-7-4-8-18(17)24/h1-3,5-6,9-13H,4,7-8H2
InChIK	LABFKFDIIWIAAQ-UHFFFAOYSA-N
TotalMolweight	426.333
Molweight	426.333
MonoisotopicMass	425.00851
CLogP	5.2002
CLogS	-6.303
H Acceptors	3
TotalSurfaceArea	276.85
Relative PSA	0.1702
PolarSurfaceArea	62.68
Druglikeness	-1.7917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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