N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C16H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C16H14N2O4 |
| Smiles | Oc1cccc(/C=N\NC(C2Oc(cccc3)c3OC2)=O)c1 |
| InChI | InChI=1S/C16H14N2O4/c19-12-5-3-4-11(8-12)9-17-18-16(20)15-10-21-13-6-1-2-7-14(13)22-15/h1-9,15,19H,10H2,(H,18,20)/t15-/m0/s1 |
| InChIK | AFRGDOJKJVDDIB-HNNXBMFYSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 2.398 |
| CLogS | -3.447 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226.1 |
| Relative PSA | 0.30566 |
| 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 | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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