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

Formula:C20H13N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C20H13N2O3ClS
Smiles	O/C(/c1ccccc1)=C(\C(c(cc1)ccc1Cl)N(C1=O)c2nccs2)/C1=O
InChI	InChI=1S/C20H13ClN2O3S/c21-14-8-6-12(7-9-14)16-15(17(24)13-4-2-1-3-5-13)18(25)19(26)23(16)20-22-10-11-27-20/h1-11,16,24H/t16-/m1/s1
InChIK	OWNCHJRMEPTOGW-MRXNPFEDSA-N
TotalMolweight	396.853
Molweight	396.853
MonoisotopicMass	396.03354
CLogP	3.6656
CLogS	-4.462
H Acceptors	5
H Donors	1
TotalSurfaceArea	276.97
Relative PSA	0.26739
PolarSurfaceArea	98.74
Druglikeness	0.23177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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