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C18H19N3O2 | Cheminformatics
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N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide

Molecular Formula : C18H19N3O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.

MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide

MolecularFormula : C18H19N3O2

Smiles : Oc1cc2ccccc2cc1C(N/N=C1/C(CC2)CCN2C1)=O

InChI : InChI=1S/C18H19N3O2/c22-17-10-14-4-2-1-3-13(14)9-15(17)18(23)20-19-16-11-21-7-5-12(16)6-8-21/h1-4,9-10,12,22H,5-8,11H2,(H,20,23)

InChIK : YAPBLALJLJMRGS-UHFFFAOYSA-N

TotalMolweight : 309.368

Molweight : 309.368

MonoisotopicMass : 309.147727

CLogP : 2.8787

CLogS : -3.782

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 230.99

Relative PSA : 0.22798

PolarSurfaceArea : 64.93

Druglikeness : 7.7513

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.56522

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 10

Sp3Atoms : 8

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide
2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide
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