[(E)-[1,3-benzodioxol-5-yl(piperidin-1-yl)methylidene]amino] benzoate
Formula:C20H20N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1,3-benzodioxol-5-yl(piperidin-1-yl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[1,3-benzodioxol-5-yl(piperidin-1-yl)methylidene]amino] benzoate |
| MolecularFormula | C20H20N2O4 |
| Smiles | O=C(c1ccccc1)O/N=C(\c(cc1)cc2c1OCO2)/N1CCCCC1 |
| InChI | InChI=1S/C20H20N2O4/c23-20(15-7-3-1-4-8-15)26-21-19(22-11-5-2-6-12-22)16-9-10-17-18(13-16)25-14-24-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2 |
| InChIK | BUELEGHKJMKMHU-UHFFFAOYSA-N |
| TotalMolweight | 352.389 |
| Molweight | 352.389 |
| MonoisotopicMass | 352.142308 |
| CLogP | 4.9345 |
| CLogS | -4.757 |
| H Acceptors | 6 |
| TotalSurfaceArea | 269.6 |
| Relative PSA | 0.2155 |
| PolarSurfaceArea | 60.36 |
| Druglikeness | -1.598 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1,3-benzodioxol-5-yl(piperidin-1-yl)methylidene]amino] benzoate | 2 - [(E)-[1,3-benzodioxol-5-yl(piperidin-1-yl)methylidene]amino] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off