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C14H18N4O | Cheminformatics

4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide

Molecular Formula : C14H18N4O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C14H18N4O

Smiles : Nc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O

InChI : InChI=1S/C14H18N4O/c15-12-3-1-11(2-4-12)14(19)17-16-13-9-18-7-5-10(13)6-8-18/h1-4,10H,5-9,15H2,(H,17,19)

InChIK : FDBMFLGFIYCHQP-UHFFFAOYSA-N

TotalMolweight : 258.324

Molweight : 258.324

MonoisotopicMass : 258.148061

CLogP : 1.3527

CLogS : -2.548

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 198.56

Relative PSA : 0.27614

PolarSurfaceArea : 70.72

Druglikeness : 7.7283

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.63158

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

StereoCon :

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