N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2,4-dichlorobenzamide
Formula:C14H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2,4-dichlorobenzamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2,4-dichlorobenzamide |
| MolecularFormula | C14H14N2OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C1/C(CC2)CC2C1 |
| InChI | InChI=1S/C14H14Cl2N2O/c15-10-3-4-11(12(16)7-10)14(19)18-17-13-6-8-1-2-9(13)5-8/h3-4,7-9H,1-2,5-6H2,(H,18,19) |
| InChIK | RBIYAJLOEXUPBA-UHFFFAOYSA-N |
| TotalMolweight | 297.184 |
| Molweight | 297.184 |
| MonoisotopicMass | 296.048317 |
| CLogP | 4.0677 |
| CLogS | -5.191 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.32 |
| Relative PSA | 0.17203 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2,4-dichlorobenzamide | 2 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2,4-dichlorobenzamide
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