N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-naphthalen-1-yloxamide
Formula:C20H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C20H15N3O4 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C20H15N3O4/c24-19(22-16-7-3-5-14-4-1-2-6-15(14)16)20(25)23-21-11-13-8-9-17-18(10-13)27-12-26-17/h1-11H,12H2,(H,22,24)(H,23,25) |
| InChIK | BKONPRHPWVLVGU-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 3.4497 |
| CLogS | -5.842 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 271.06 |
| Relative PSA | 0.29702 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.5702 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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