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C14H17N3O2 | Cheminformatics

N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide

Molecular Formula : C14H17N3O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide

MolecularFormula : C14H17N3O2

Smiles : Oc1cccc(C(N/N=C2/C(CC3)CCN3C2)=O)c1

InChI : InChI=1S/C14H17N3O2/c18-12-3-1-2-11(8-12)14(19)16-15-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,18H,4-7,9H2,(H,16,19)

InChIK : UCZUIQCBJLHVBV-UHFFFAOYSA-N

TotalMolweight : 259.308

Molweight : 259.308

MonoisotopicMass : 259.132077

CLogP : 1.6843

CLogS : -2.176

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 196.39

Relative PSA : 0.26814

PolarSurfaceArea : 64.93

Druglikeness : 7.7513

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.57895

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 : 8

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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