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C17H24N6O2 | Cheminformatics

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

Molecular Formula : C17H24N6O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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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