| MolName | (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide |
| MolecularFormula | C21H17N2O3Cl |
| Smiles | O=C(COc(cccc1)c1Cl)NNC(/C=C/c1cccc2ccccc12)=O |
| InChI | InChI=1S/C21H17ClN2O3/c22-18-10-3-4-11-19(18)27-14-21(26)24-23-20(25)13-12-16-8-5-7-15-6-1-2-9-17(15)16/h1-13H,14H2,(H,23,25)(H,24,26) |
| InChIK | OOACDQDVYKMOQI-UHFFFAOYSA-N |
| TotalMolweight | 380.83 |
| Molweight | 380.83 |
| MonoisotopicMass | 380.09277 |
| CLogP | 3.3221 |
| CLogS | -5.802 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.72 |
| Relative PSA | 0.20225 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 0.6045 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide | 2 - (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide