N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]quinoline-2-carboxamide
Formula:C18H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C18H13N3O3 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H13N3O3/c22-18(15-7-6-13-3-1-2-4-14(13)20-15)21-19-10-12-5-8-16-17(9-12)24-11-23-16/h1-10H,11H2,(H,21,22) |
| InChIK | AWDXYPNDQWGNIR-UHFFFAOYSA-N |
| TotalMolweight | 319.319 |
| Molweight | 319.319 |
| MonoisotopicMass | 319.095692 |
| CLogP | 3.683 |
| CLogS | -5.162 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.61 |
| Relative PSA | 0.27838 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.2378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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