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

Formula:C20H12N2O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(2-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(2-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C20H12N2O3ClFS
Smiles	O/C(/c(cc1)ccc1F)=C(\C(c(cccc1)c1Cl)N(C1=O)c2nccs2)/C1=O
InChI	InChI=1S/C20H12ClFN2O3S/c21-14-4-2-1-3-13(14)16-15(17(25)11-5-7-12(22)8-6-11)18(26)19(27)24(16)20-23-9-10-28-20/h1-10,16,25H/t16-/m1/s1
InChIK	ZRPQFILEPVDXNI-MRXNPFEDSA-N
TotalMolweight	414.843
Molweight	414.843
MonoisotopicMass	414.024118
CLogP	3.7664
CLogS	-4.776
H Acceptors	5
H Donors	1
TotalSurfaceArea	283.32
Relative PSA	0.2614
PolarSurfaceArea	98.74
Druglikeness	-1.1082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
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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