ethyl (1Z)-N-(2-butoxybenzoyl)methanehydrazonate
Formula:C14H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl (1Z)-N-(2-butoxybenzoyl)methanehydrazonate is a drug-like molecule.
| MolName | ethyl (1Z)-N-(2-butoxybenzoyl)methanehydrazonate |
| MolecularFormula | C14H20N2O3 |
| Smiles | CCCCOc(cccc1)c1C(N/N=C\OCC)=O |
| InChI | InChI=1S/C14H20N2O3/c1-3-5-10-19-13-9-7-6-8-12(13)14(17)16-15-11-18-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,16,17) |
| InChIK | WQMADSBFAJAWKP-UHFFFAOYSA-N |
| TotalMolweight | 264.324 |
| Molweight | 264.324 |
| MonoisotopicMass | 264.147393 |
| CLogP | 3.0181 |
| CLogS | -3.695 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.79 |
| Relative PSA | 0.24697 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -3.8479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| StereoCon |
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1 - ethyl (1Z)-N-(2-butoxybenzoyl)methanehydrazonate | 2 - ethyl (1Z)-N-(2-butoxybenzoyl)methanehydrazonate
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