N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,3,4-tetrahydroacridin-9-amine
Formula:C21H19N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,3,4-tetrahydroacridin-9-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,3,4-tetrahydroacridin-9-amine |
| MolecularFormula | C21H19N3O2 |
| Smiles | C1Oc(cc(/C=N\Nc2c(CCCC3)c3nc3ccccc23)cc2)c2O1 |
| InChI | InChI=1S/C21H19N3O2/c1-3-7-17-15(5-1)21(16-6-2-4-8-18(16)23-17)24-22-12-14-9-10-19-20(11-14)26-13-25-19/h1,3,5,7,9-12H,2,4,6,8,13H2,(H,23,24) |
| InChIK | HOIYGEMGNXZXOH-UHFFFAOYSA-N |
| TotalMolweight | 345.401 |
| Molweight | 345.401 |
| MonoisotopicMass | 345.147727 |
| CLogP | 6.4791 |
| CLogS | -5.682 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.4 |
| Relative PSA | 0.20401 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | -3.5021 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,3,4-tetrahydroacridin-9-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,3,4-tetrahydroacridin-9-amine
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