| MolName | [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C29H23N2O5Cl |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C29H23ClN2O5/c30-24-8-4-7-23(17-24)29(34)37-27-11-9-21(10-12-27)18-31-32-28(33)20-36-26-15-13-25(14-16-26)35-19-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,32,33) |
| InChIK | MCEDPLDCQKRCBB-UHFFFAOYSA-N |
| TotalMolweight | 514.964 |
| Molweight | 514.964 |
| MonoisotopicMass | 514.12955 |
| CLogP | 6.1611 |
| CLogS | -7.048 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 397.2 |
| Relative PSA | 0.19902 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.0206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7027 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate