| MolName | 3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C18H23N7O3 |
| Smiles | Oc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 |
| InChI | InChI=1S/C18H23N7O3/c26-15-3-1-2-14(12-15)13-19-23-16-20-17(24-4-8-27-9-5-24)22-18(21-16)25-6-10-28-11-7-25/h1-3,12-13,26H,4-11H2,(H,20,21,22,23) |
| InChIK | FAAPUUJKDNIDJC-UHFFFAOYSA-N |
| TotalMolweight | 385.427 |
| Molweight | 385.427 |
| MonoisotopicMass | 385.186238 |
| CLogP | 3.2548 |
| CLogS | -3.245 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 295.55 |
| Relative PSA | 0.32509 |
| PolarSurfaceArea | 108.23 |
| Druglikeness | 3.2651 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol | 2 - 3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol