N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline
Formula:C22H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline |
| MolecularFormula | C22H20N2O2 |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C22H20N2O2/c1-3-7-18(8-4-1)17-24(20-9-5-2-6-10-20)23-16-19-11-12-21-22(15-19)26-14-13-25-21/h1-12,15-16H,13-14,17H2 |
| InChIK | NIGNNSUOKFZNFR-UHFFFAOYSA-N |
| TotalMolweight | 344.413 |
| Molweight | 344.413 |
| MonoisotopicMass | 344.152478 |
| CLogP | 4.9506 |
| CLogS | -4.484 |
| H Acceptors | 4 |
| TotalSurfaceArea | 275.62 |
| Relative PSA | 0.1272 |
| PolarSurfaceArea | 34.06 |
| Druglikeness | -3.5789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline | 2 - N-benzyl-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off