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

Formula:C19H10N3O3Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C19H10N3O3Cl2FS
Smiles	O/C(/c(cc1)ccc1F)=C(\C(c(ccc(Cl)c1)c1Cl)N(C1=O)c2nncs2)/C1=O
InChI	InChI=1S/C19H10Cl2FN3O3S/c20-10-3-6-12(13(21)7-10)15-14(16(26)9-1-4-11(22)5-2-9)17(27)18(28)25(15)19-24-23-8-29-19/h1-8,15,26H/t15-/m1/s1
InChIK	BQDMPFTXVAKXMB-OAHLLOKOSA-N
TotalMolweight	450.276
Molweight	450.276
MonoisotopicMass	448.980394
CLogP	3.5373
CLogS	-4.949
H Acceptors	6
H Donors	1
TotalSurfaceArea	297.5
Relative PSA	0.28582
PolarSurfaceArea	111.63
Druglikeness	-0.69492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
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-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

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