(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)cyclohexan-1-one
Formula:C14H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)cyclohexan-1-one is a drug-like molecule.
| MolName | (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazinylidene)cyclohexan-1-one |
| MolecularFormula | C14H16N2O3 |
| Smiles | O=C(CCCC1)/C1=N/Nc(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C14H16N2O3/c17-12-4-2-1-3-11(12)16-15-10-5-6-13-14(9-10)19-8-7-18-13/h5-6,9,15H,1-4,7-8H2 |
| InChIK | AWVCSRYFQHVQFD-UHFFFAOYSA-N |
| TotalMolweight | 260.292 |
| Molweight | 260.292 |
| MonoisotopicMass | 260.116093 |
| CLogP | 3.862 |
| CLogS | -2.845 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 201 |
| Relative PSA | 0.27866 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -13.078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| StereoCon |
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