N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline

Formula:C17H24N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline is a drug-like molecule.

MolName	N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline
MolecularFormula	C17H24N6O2
Smiles	[O-][N+](c(ccc(N1CCNCC1)c1)c1N/N=C1\C(CC2)CCN2C1)=O
InChI	InChI=1S/C17H24N6O2/c24-23(25)17-2-1-14(22-9-5-18-6-10-22)11-15(17)19-20-16-12-21-7-3-13(16)4-8-21/h1-2,11,13,18-19H,3-10,12H2
InChIK	VUNVISCHTOJBHH-UHFFFAOYSA-N
TotalMolweight	344.418
Molweight	344.418
MonoisotopicMass	344.196074
CLogP	-0.7167
CLogS	-2.327
H Acceptors	8
H Donors	2
TotalSurfaceArea	259.26
Relative PSA	0.27752
PolarSurfaceArea	88.72
Druglikeness	1.749
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	4
Amines	3
AlkylAmines	2
Aromatic Amines	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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1 - N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline | 2 - N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperazin-1-ylaniline

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