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

Formula:C18H25N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperidin-1-ylaniline is a drug-like molecule.

MolName	N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-piperidin-1-ylaniline
MolecularFormula	C18H25N5O2
Smiles	[O-][N+](c(ccc(N1CCCCC1)c1)c1N/N=C1\C(CC2)CCN2C1)=O
InChI	InChI=1S/C18H25N5O2/c24-23(25)18-5-4-15(22-8-2-1-3-9-22)12-16(18)19-20-17-13-21-10-6-14(17)7-11-21/h4-5,12,14,19H,1-3,6-11,13H2
InChIK	GOTHDHUGQHCOTF-UHFFFAOYSA-N
TotalMolweight	343.43
Molweight	343.43
MonoisotopicMass	343.200825
CLogP	2.6542
CLogS	-3.352
H Acceptors	7
H Donors	1
TotalSurfaceArea	261.56
Relative PSA	0.23127
PolarSurfaceArea	76.69
Druglikeness	-0.68219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	4
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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

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