(5E)-5-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C24H16NO3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5E)-5-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C24H16NO3BrS
Smiles	C#CCN(C(/C(/S1)=C\c(cc(cc2)Br)c2OCc2cccc3ccccc23)=O)C1=O
InChI	InChI=1S/C24H16BrNO3S/c1-2-12-26-23(27)22(30-24(26)28)14-18-13-19(25)10-11-21(18)29-15-17-8-5-7-16-6-3-4-9-20(16)17/h1,3-11,13-14H,12,15H2
InChIK	IRMMOGNLNWQYQN-UHFFFAOYSA-N
TotalMolweight	478.365
Molweight	478.365
MonoisotopicMass	477.003425
CLogP	5.0372
CLogS	-7.192
H Acceptors	4
TotalSurfaceArea	322.08
Relative PSA	0.17735
PolarSurfaceArea	71.91
Druglikeness	2.3934
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
StereoCon

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