(5Z)-3-[(4-bromoanilino)methyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H12N2O2BrFS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-3-[(4-bromoanilino)methyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[(4-bromoanilino)methyl]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H12N2O2BrFS
Smiles	O=C(/C(/S1)=C/c(cccc2)c2F)N(CNc(cc2)ccc2Br)C1=O
InChI	InChI=1S/C17H12BrFN2O2S/c18-12-5-7-13(8-6-12)20-10-21-16(22)15(24-17(21)23)9-11-3-1-2-4-14(11)19/h1-9,20H,10H2
InChIK	DMPPHAMGGGTSFK-UHFFFAOYSA-N
TotalMolweight	407.262
Molweight	407.262
MonoisotopicMass	405.978687
CLogP	3.7297
CLogS	-5.756
H Acceptors	4
H Donors	1
TotalSurfaceArea	257.72
Relative PSA	0.2273
PolarSurfaceArea	74.71
Druglikeness	0.65706
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	methanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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