N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C21H17N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H17N3O4/c25-20(12-22-21(26)15-8-9-18-19(10-15)28-13-27-18)24-23-11-16-6-3-5-14-4-1-2-7-17(14)16/h1-11H,12-13H2,(H,22,26)(H,24,25) |
| InChIK | MXECQHGHBBRUDL-UHFFFAOYSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 3.5911 |
| CLogS | -5.805 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.82 |
| Relative PSA | 0.28267 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 5.1939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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