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

Formula:C17H23N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-pyrrolidin-1-ylaniline is a drug-like molecule.

MolName	N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2-nitro-5-pyrrolidin-1-ylaniline
MolecularFormula	C17H23N5O2
Smiles	[O-][N+](c(ccc(N1CCCC1)c1)c1N/N=C1\C(CC2)CCN2C1)=O
InChI	InChI=1S/C17H23N5O2/c23-22(24)17-4-3-14(21-7-1-2-8-21)11-15(17)18-19-16-12-20-9-5-13(16)6-10-20/h3-4,11,13,18H,1-2,5-10,12H2
InChIK	YWHFCEWLEJVQIU-UHFFFAOYSA-N
TotalMolweight	329.403
Molweight	329.403
MonoisotopicMass	329.185175
CLogP	2.3122
CLogS	-3.082
H Acceptors	7
H Donors	1
TotalSurfaceArea	247.8
Relative PSA	0.24411
PolarSurfaceArea	76.69
Druglikeness	0.79122
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	4
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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