(3aR,4S,7R,7aS)-2-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

Formula:C13H12N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3aR,4S,7R,7aS)-2-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is a drug-like molecule.

MolName	(3aR,4S,7R,7aS)-2-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
MolecularFormula	C13H12N2O3
Smiles	O=C([C@H]([C@@H]1O[C@H]2CC1)[C@H]2C1=O)N1c1ncccc1
InChI	InChI=1S/C13H12N2O3/c16-12-10-7-4-5-8(18-7)11(10)13(17)15(12)9-3-1-2-6-14-9/h1-3,6-8,10-11H,4-5H2/t7-,8-,10-,11-/m0/s1
InChIK	XUXGTVRRRQGACS-UUTMEEIUSA-N
TotalMolweight	244.249
Molweight	244.249
MonoisotopicMass	244.084793
CLogP	0.1483
CLogS	-2.661
H Acceptors	5
TotalSurfaceArea	164.84
Relative PSA	0.30696
PolarSurfaceArea	59.5
Druglikeness	1.6709
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	4
Rotatable Bond	1
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon	meso

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1 - (3aR,4S,7R,7aS)-2-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione | 2 - (3aR,4S,7R,7aS)-2-pyridin-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

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