N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C20H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C20H16N2O4 |
| Smiles | Oc1cccc(/C=N\NC(C2Oc3cc4ccccc4cc3OC2)=O)c1 |
| InChI | InChI=1S/C20H16N2O4/c23-16-7-3-4-13(8-16)11-21-22-20(24)19-12-25-17-9-14-5-1-2-6-15(14)10-18(17)26-19/h1-11,19,23H,12H2,(H,22,24)/t19-/m0/s1 |
| InChIK | GTGKYMNPIVLHPS-IBGZPJMESA-N |
| TotalMolweight | 348.357 |
| Molweight | 348.357 |
| MonoisotopicMass | 348.111008 |
| CLogP | 3.5924 |
| CLogS | -5.053 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 260.7 |
| Relative PSA | 0.26509 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 4.9192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off