(Z)-1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C20H25N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C20H25N6 |
| Smiles | C(C(C1)(C2)/C(/c3ccccc3)=N/N=C\c3cccnc3)[NH+]3C[NH+]2C[NH+]1C3 |
| InChI | InChI=1S/C20H22N6/c1-2-6-18(7-3-1)19(23-22-10-17-5-4-8-21-9-17)20-11-24-14-25(12-20)16-26(13-20)15-24/h1-10H,11-16H2/p+3 |
| InChIK | VXXHQSNZFPEMSL-UHFFFAOYSA-Q |
| TotalMolweight | 349.461 |
| Molweight | 349.461 |
| MonoisotopicMass | 349.214069 |
| CLogP | -2.7887 |
| CLogS | -3.698 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 305 |
| Relative PSA | 0.28446 |
| PolarSurfaceArea | 50.93 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - (Z)-1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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