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

Formula:C19H11N3O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(2-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(2-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C19H11N3O3ClFS
Smiles	O/C(/c(cc1)ccc1F)=C(\C(c(cccc1)c1Cl)N(C1=O)c2nncs2)/C1=O
InChI	InChI=1S/C19H11ClFN3O3S/c20-13-4-2-1-3-12(13)15-14(16(25)10-5-7-11(21)8-6-10)17(26)18(27)24(15)19-23-22-9-28-19/h1-9,15,25H/t15-/m1/s1
InChIK	ZGRFFHKZQMGDTI-OAHLLOKOSA-N
TotalMolweight	415.831
Molweight	415.831
MonoisotopicMass	415.019367
CLogP	2.9313
CLogS	-4.213
H Acceptors	6
H Donors	1
TotalSurfaceArea	282.08
Relative PSA	0.30144
PolarSurfaceArea	111.63
Druglikeness	-0.69492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
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	2
StereoCon	racemate

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

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