(4E)-5-(3-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Formula:C20H12N2O3Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(3-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C20H12N2O3Br2S
Smiles	O/C(/c(cc1)ccc1Br)=C(\C(c1cccc(Br)c1)N(C1=O)c2nccs2)/C1=O
InChI	InChI=1S/C20H12Br2N2O3S/c21-13-6-4-11(5-7-13)17(25)15-16(12-2-1-3-14(22)10-12)24(19(27)18(15)26)20-23-8-9-28-20/h1-10,16,25H/t16-/m1/s1
InChIK	BYRHBTWSPKHJIC-MRXNPFEDSA-N
TotalMolweight	520.2
Molweight	520.2
MonoisotopicMass	517.893535
CLogP	4.51
CLogS	-5.394
H Acceptors	5
H Donors	1
TotalSurfaceArea	298.81
Relative PSA	0.24785
PolarSurfaceArea	98.74
Druglikeness	-1.6078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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