2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Formula:C19H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide |
| MolecularFormula | C19H18N2O4 |
| Smiles | O=C(CO/N=C\c(cc1)cc2c1OCO2)Nc1cc(CCC2)c2cc1 |
| InChI | InChI=1S/C19H18N2O4/c22-19(21-16-6-5-14-2-1-3-15(14)9-16)11-25-20-10-13-4-7-17-18(8-13)24-12-23-17/h4-10H,1-3,11-12H2,(H,21,22) |
| InChIK | ULBNOWWZEKCRFN-UHFFFAOYSA-N |
| TotalMolweight | 338.362 |
| Molweight | 338.362 |
| MonoisotopicMass | 338.126658 |
| CLogP | 4.1362 |
| CLogS | -5.126 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 258.79 |
| Relative PSA | 0.25507 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -0.9395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide | 2 - 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off