N-[(Z)-(2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C20H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C20H15N3O5 |
| Smiles | [O-][N+](c1c(/C=N\NC(C2Oc3cc4ccccc4cc3OC2)=O)cccc1)=O |
| InChI | InChI=1S/C20H15N3O5/c24-20(22-21-11-15-7-3-4-8-16(15)23(25)26)19-12-27-17-9-13-5-1-2-6-14(13)10-18(17)28-19/h1-11,19H,12H2,(H,22,24)/t19-/m0/s1 |
| InChIK | NGBLSQZOZWVJEI-IBGZPJMESA-N |
| TotalMolweight | 377.355 |
| Molweight | 377.355 |
| MonoisotopicMass | 377.101172 |
| CLogP | 3.0165 |
| CLogS | -5.809 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 278.02 |
| Relative PSA | 0.31088 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -0.15285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-(2-nitrophenyl)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