N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzodioxole-5-carboxamide
Formula:C20H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C20H15N3O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C20H15N3O3/c24-20(15-9-10-17-18(12-15)26-13-25-17)23-22-19(14-6-2-1-3-7-14)16-8-4-5-11-21-16/h1-12H,13H2,(H,23,24) |
| InChIK | YNDDBFSEKSYOBN-UHFFFAOYSA-N |
| TotalMolweight | 345.357 |
| Molweight | 345.357 |
| MonoisotopicMass | 345.111342 |
| CLogP | 3.5628 |
| CLogS | -5.437 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.98 |
| Relative PSA | 0.25373 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 3.162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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