(4E)-5-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Formula:C19H12N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-5-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C19H12N3O3ClS
Smiles	O/C(/c1ccncc1)=C(\C(c1cccc(Cl)c1)N(C1=O)c2nccs2)/C1=O
InChI	InChI=1S/C19H12ClN3O3S/c20-13-3-1-2-12(10-13)15-14(16(24)11-4-6-21-7-5-11)17(25)18(26)23(15)19-22-8-9-27-19/h1-10,15,24H/t15-/m1/s1
InChIK	JKWWKHPYOVPDIW-OAHLLOKOSA-N
TotalMolweight	397.841
Molweight	397.841
MonoisotopicMass	397.028789
CLogP	2.6647
CLogS	-3.667
H Acceptors	6
H Donors	1
TotalSurfaceArea	275.73
Relative PSA	0.30838
PolarSurfaceArea	111.63
Druglikeness	0.23177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.40741
Fragments	1
Non HAtoms	27
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	2
StereoCon	racemate

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