N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C16H15N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C16H15N3O5 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H15N3O5/c20-15(19-18-9-12-2-1-5-22-12)10-17-16(21)11-3-4-13-14(8-11)24-7-6-23-13/h1-5,8-9H,6-7,10H2,(H,17,21)(H,19,20) |
| InChIK | VBEXNLFHSMXNBL-UHFFFAOYSA-N |
| TotalMolweight | 329.311 |
| Molweight | 329.311 |
| MonoisotopicMass | 329.101172 |
| CLogP | 1.4528 |
| CLogS | -3.352 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 253.67 |
| Relative PSA | 0.373 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | -1.8017 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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