4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
Formula:C16H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide |
| MolecularFormula | C16H15N3O3 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cc1)cc2c1OCCO2)=O |
| InChI | InChI=1S/C16H15N3O3/c17-13-4-2-12(3-5-13)16(20)19-18-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8,17H2,(H,19,20) |
| InChIK | LQAOHTRKYFCYJT-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.111342 |
| CLogP | 2.5031 |
| CLogS | -3.979 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 229.53 |
| Relative PSA | 0.31055 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -2.9031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide | 2 - 4-amino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
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