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 : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |