N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline
Formula:C16H13N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C16H13N2O2F3 |
| Smiles | FC(c(cccc1)c1N/N=C\c(cc1)cc2c1OCCO2)(F)F |
| InChI | InChI=1S/C16H13F3N2O2/c17-16(18,19)12-3-1-2-4-13(12)21-20-10-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10,21H,7-8H2 |
| InChIK | RIKPVLASAUZSOF-UHFFFAOYSA-N |
| TotalMolweight | 322.285 |
| Molweight | 322.285 |
| MonoisotopicMass | 322.092912 |
| CLogP | 5.668 |
| CLogS | -4.109 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.72 |
| Relative PSA | 0.18464 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -12.441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off