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C13H22N4O | Cheminformatics

N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]piperidine-4-carboxamide

Molecular Formula : C13H22N4O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]piperidine-4-carboxamide

MolecularFormula : C13H22N4O

Smiles : O=C(C1CCNCC1)N/N=C1/C(CC2)CCN2C1

InChI : InChI=1S/C13H22N4O/c18-13(11-1-5-14-6-2-11)16-15-12-9-17-7-3-10(12)4-8-17/h10-11,14H,1-9H2,(H,16,18)

InChIK : WAAPNYHFCDRRKX-UHFFFAOYSA-N

TotalMolweight : 250.345

Molweight : 250.345

MonoisotopicMass : 250.179361

CLogP : 0.6228

CLogS : -1.603

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 195.78

Relative PSA : 0.2606

PolarSurfaceArea : 56.73

Druglikeness : 8.0139

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.61111

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 4

Sp3Atoms : 13

Symmetricatoms : 4

Amines : 2

AlkylAmines : 2

BasicNitrogens : 2

StereoCon :

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