2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-naphthalen-2-ylacetamide
Formula:C20H16N2O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-naphthalen-2-ylacetamide is a drug-like molecule.
| MolName | 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-naphthalen-2-ylacetamide |
| MolecularFormula | C20H16N2O4 |
| Smiles | O=C(CO/N=C\c(cc1)cc2c1OCO2)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H16N2O4/c23-20(22-17-7-6-15-3-1-2-4-16(15)10-17)12-26-21-11-14-5-8-18-19(9-14)25-13-24-18/h1-11H,12-13H2,(H,22,23) |
| InChIK | YMQKKZIZPFVWQC-UHFFFAOYSA-N |
| TotalMolweight | 348.357 |
| Molweight | 348.357 |
| MonoisotopicMass | 348.111008 |
| CLogP | 4.5158 |
| CLogS | -5.91 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.61 |
| Relative PSA | 0.24852 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.0639 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-naphthalen-2-ylacetamide | 2 - 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-naphthalen-2-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off