2-[(5Z)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

Formula:C19H13NO5BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C19H13NO5BrFS
Smiles	OC(CN(C(/C(/S1)=C/c(cc(cc2)Br)c2OCc(cccc2)c2F)=O)C1=O)=O
InChI	InChI=1S/C19H13BrFNO5S/c20-13-5-6-15(27-10-11-3-1-2-4-14(11)21)12(7-13)8-16-18(25)22(9-17(23)24)19(26)28-16/h1-8H,9-10H2,(H,23,24)
InChIK	HLTIMUFRORMSKC-UHFFFAOYSA-N
TotalMolweight	466.282
Molweight	466.282
MonoisotopicMass	464.968183
CLogP	3.0464
CLogS	-5.051
H Acceptors	6
H Donors	1
TotalSurfaceArea	294.12
Relative PSA	0.28308
PolarSurfaceArea	109.21
Druglikeness	-4.6775
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[(5Z)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

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