| MolName | N-[(Z)-(3-oxocyclohexylidene)amino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C23H21N3O3 |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C23H21N3O3/c27-20-7-2-6-19(14-20)25-26-23(28)18-11-9-16(10-12-18)15-29-21-8-1-4-17-5-3-13-24-22(17)21/h1,3-5,8-13H,2,6-7,14-15H2,(H,26,28) |
| InChIK | KENRBKUHVAJBDQ-UHFFFAOYSA-N |
| TotalMolweight | 387.438 |
| Molweight | 387.438 |
| MonoisotopicMass | 387.158292 |
| CLogP | 3.908 |
| CLogS | -5.282 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.61 |
| Relative PSA | 0.23215 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | -1.2693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-oxocyclohexylidene)amino]-4-(quinolin-8-yloxymethyl)benzamide | 2 - N-[(Z)-(3-oxocyclohexylidene)amino]-4-(quinolin-8-yloxymethyl)benzamide