4-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C15H13N3O3/c16-12-4-2-11(3-5-12)15(19)18-17-8-10-1-6-13-14(7-10)21-9-20-13/h1-8H,9,16H2,(H,18,19) |
| InChIK | PFJHNJUYTNWOCI-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 2.6357 |
| CLogS | -4.508 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 215.77 |
| Relative PSA | 0.33035 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | 4.1845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide | 2 - 4-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
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