(Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H26N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H26N5 |
| Smiles | C(C(C1)(C2)/C(/c3ccccc3)=N/N=C\c3ccccc3)[NH+]3C[NH+]2C[NH+]1C3 |
| InChI | InChI=1S/C21H23N5/c1-3-7-18(8-4-1)11-22-23-20(19-9-5-2-6-10-19)21-12-24-15-25(13-21)17-26(14-21)16-24/h1-11H,12-17H2/p+3 |
| InChIK | RAOSYXXKAGSZAU-UHFFFAOYSA-Q |
| TotalMolweight | 348.472 |
| Molweight | 348.472 |
| MonoisotopicMass | 348.21882 |
| CLogP | -1.7878 |
| CLogS | -4.493 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 306.24 |
| Relative PSA | 0.24749 |
| PolarSurfaceArea | 38.04 |
| Druglikeness | 1.6795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off