(Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H23N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[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-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H23N5 |
| Smiles | C(C(C1)(C2)C(c3ccccc3)=N/N=C\c3ccccc3)N3CN2CN1C3 |
| 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 |
| InChIK | RAOSYXXKAGSZAU-UHFFFAOYSA-N |
| TotalMolweight | 345.449 |
| Molweight | 345.449 |
| MonoisotopicMass | 345.195345 |
| CLogP | 4.5413 |
| CLogS | -4.493 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.12 |
| Relative PSA | 0.12748 |
| PolarSurfaceArea | 34.44 |
| Druglikeness | 5.141 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| 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 |
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1 - (Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-benzylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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