| MolName | [2-[(Z)-[[9-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-9-oxononanoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C37H36N4O6 |
| Smiles | O=C(CCCCCCCC(N/N=C\c(cccc1)c1OC(c1ccccc1)=O)=O)N/N=C\c(cccc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C37H36N4O6/c42-34(40-38-26-30-20-12-14-22-32(30)46-36(44)28-16-6-4-7-17-28)24-10-2-1-3-11-25-35(43)41-39-27-31-21-13-15-23-33(31)47-37(45)29-18-8-5-9-19-29/h4-9,12-23,26-27H,1-3,10-11,24-25H2,(H,40,42)(H,41,43) |
| InChIK | SBKYCAJQDLRUKP-UHFFFAOYSA-N |
| TotalMolweight | 632.715 |
| Molweight | 632.715 |
| MonoisotopicMass | 632.263486 |
| CLogP | 8.5802 |
| CLogS | -8.948 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 512.3 |
| Relative PSA | 0.23053 |
| PolarSurfaceArea | 135.52 |
| Druglikeness | -4.422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65957 |
| Fragments | 1 |
| Non HAtoms | 47 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 18 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 9 |
| Symmetricatoms | 25 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[9-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-9-oxononanoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [2-[(Z)-[[9-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-9-oxononanoyl]hydrazinylidene]methyl]phenyl] benzoate