(Z)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C25H28N5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-N-[(Z)-naphthalen-1-ylmethylideneamino]-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)-naphthalen-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C25H28N5 |
| Smiles | C(C(C1)(C2)/C(/c3ccccc3)=N/N=C\c3cccc4ccccc34)[NH+]3C[NH+]2C[NH+]1C3 |
| InChI | InChI=1S/C25H25N5/c1-2-8-21(9-3-1)24(25-14-28-17-29(15-25)19-30(16-25)18-28)27-26-13-22-11-6-10-20-7-4-5-12-23(20)22/h1-13H,14-19H2/p+3 |
| InChIK | YROMXNJLSTWOSP-UHFFFAOYSA-Q |
| TotalMolweight | 398.532 |
| Molweight | 398.532 |
| MonoisotopicMass | 398.23447 |
| CLogP | -0.5934 |
| CLogS | -6.099 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 340.84 |
| Relative PSA | 0.22236 |
| PolarSurfaceArea | 38.04 |
| Druglikeness | 1.6795 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - (Z)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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