(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Formula:C15H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.

MolName	(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
MolecularFormula	C15H16N2O5
Smiles	[O-][N+](c1c(/C=C2\N(CC3)CCC3C2O)cc2OCOc2c1)=O
InChI	InChI=1S/C15H16N2O5/c18-15-9-1-3-16(4-2-9)12(15)5-10-6-13-14(22-8-21-13)7-11(10)17(19)20/h5-7,9,15,18H,1-4,8H2/t15-/m0/s1
InChIK	LKFUYMGWPXKBAO-HNNXBMFYSA-N
TotalMolweight	304.301
Molweight	304.301
MonoisotopicMass	304.105923
CLogP	0.5249
CLogS	-3.789
H Acceptors	7
H Donors	1
TotalSurfaceArea	211.59
Relative PSA	0.31698
PolarSurfaceArea	87.75
Druglikeness	-0.11
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

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1 - (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

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