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

Formula:C17H12N2O2BrClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (5E)-3-[(3-bromoanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-[(3-bromoanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H12N2O2BrClS
Smiles	O=C(/C(/S1)=C\c(cccc2)c2Cl)N(CNc2cccc(Br)c2)C1=O
InChI	InChI=1S/C17H12BrClN2O2S/c18-12-5-3-6-13(9-12)20-10-21-16(22)15(24-17(21)23)8-11-4-1-2-7-14(11)19/h1-9,20H,10H2
InChIK	YRLDRJXDDACBPV-UHFFFAOYSA-N
TotalMolweight	423.717
Molweight	423.717
MonoisotopicMass	421.949136
CLogP	4.2349
CLogS	-6.178
H Acceptors	4
H Donors	1
TotalSurfaceArea	266.79
Relative PSA	0.21957
PolarSurfaceArea	74.71
Druglikeness	2.039
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58333
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
Amides	1
StereoCon

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