(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione

Formula:C20H19N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
MolecularFormula	C20H19N2O5Cl
Smiles	OCCOCCN(C(/C(/C1=O)=C(/c(cc2)ccc2Cl)\O)c2ncccc2)C1=O
InChI	InChI=1S/C20H19ClN2O5/c21-14-6-4-13(5-7-14)18(25)16-17(15-3-1-2-8-22-15)23(20(27)19(16)26)9-11-28-12-10-24/h1-8,17,24-25H,9-12H2/t17-/m1/s1
InChIK	FPQSGWJJGIQTFA-QGZVFWFLSA-N
TotalMolweight	402.833
Molweight	402.833
MonoisotopicMass	402.09825
CLogP	0.9853
CLogS	-1.827
H Acceptors	7
H Donors	2
TotalSurfaceArea	292.66
Relative PSA	0.26242
PolarSurfaceArea	99.96
Druglikeness	-2.5672
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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