| MolName | 2,4-dichloro-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide |
| MolecularFormula | C17H14N2OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C17H14Cl2N2O/c18-12-8-9-14(15(19)10-12)17(22)21-20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10H,3,5,7H2,(H,21,22) |
| InChIK | ZTXYWBOUBRMURS-UHFFFAOYSA-N |
| TotalMolweight | 333.217 |
| Molweight | 333.217 |
| MonoisotopicMass | 332.048317 |
| CLogP | 5.0863 |
| CLogS | -6.142 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.82 |
| Relative PSA | 0.14769 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.52392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 2,4-dichloro-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide | 2 - 2,4-dichloro-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide