(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H12NO3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H12NO3BrS
Smiles	O=C(/C(/S1)=C/c(cc2)ccc2OCc(cc2)ccc2Br)NC1=O
InChI	InChI=1S/C17H12BrNO3S/c18-13-5-1-12(2-6-13)10-22-14-7-3-11(4-8-14)9-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)
InChIK	LKOZFNYADKCUDT-UHFFFAOYSA-N
TotalMolweight	390.256
Molweight	390.256
MonoisotopicMass	388.972125
CLogP	3.5627
CLogS	-5.324
H Acceptors	4
H Donors	1
TotalSurfaceArea	251.07
Relative PSA	0.25901
PolarSurfaceArea	80.7
Druglikeness	0.99549
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

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