N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline

Formula:C13H15N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline is a drug-like molecule.

MolName	N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline
MolecularFormula	C13H15N4O2Cl
Smiles	[O-][N+](c(ccc(Cl)c1)c1N/N=C1\C(CC2)CCN2C1)=O
InChI	InChI=1S/C13H15ClN4O2/c14-10-1-2-13(18(19)20)11(7-10)15-16-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,15H,3-6,8H2
InChIK	JNQKZZZMNICXNC-UHFFFAOYSA-N
TotalMolweight	294.741
Molweight	294.741
MonoisotopicMass	294.088353
CLogP	2.4272
CLogS	-3.096
H Acceptors	6
H Donors	1
TotalSurfaceArea	211.38
Relative PSA	0.26937
PolarSurfaceArea	73.45
Druglikeness	1.2317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline | 2 - N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline

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