N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C20H15N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C20H15N3O6 |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(C2Oc3cc4ccccc4cc3OC2)=O)cc1O)=O |
| InChI | InChI=1S/C20H15N3O6/c24-15-5-6-16(23(26)27)14(7-15)10-21-22-20(25)19-11-28-17-8-12-3-1-2-4-13(12)9-18(17)29-19/h1-10,19,24H,11H2,(H,22,25)/t19-/m0/s1 |
| InChIK | MVCSNNJYVQICNS-IBGZPJMESA-N |
| TotalMolweight | 393.354 |
| Molweight | 393.354 |
| MonoisotopicMass | 393.096087 |
| CLogP | 2.6708 |
| CLogS | -5.513 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 284.37 |
| Relative PSA | 0.35 |
| PolarSurfaceArea | 125.97 |
| Druglikeness | -0.145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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