4-acetamido-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
Formula:C17H14N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-acetamido-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-acetamido-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C17H14N3O4Cl |
| Smiles | CC(Nc(cc1)ccc1C(N/N=C\c(cc1OCOc1c1)c1Cl)=O)=O |
| InChI | InChI=1S/C17H14ClN3O4/c1-10(22)20-13-4-2-11(3-5-13)17(23)21-19-8-12-6-15-16(7-14(12)18)25-9-24-15/h2-8H,9H2,1H3,(H,20,22)(H,21,23) |
| InChIK | UJMJPIRCFBOWQD-UHFFFAOYSA-N |
| TotalMolweight | 359.768 |
| Molweight | 359.768 |
| MonoisotopicMass | 359.067284 |
| CLogP | 3.6227 |
| CLogS | -5.51 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 264.14 |
| Relative PSA | 0.3048 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 4.9398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-acetamido-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide | 2 - 4-acetamido-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
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