| MolName | [4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C22H16N2O4ClI |
| Smiles | O=C(COc(cc1)ccc1I)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C22H16ClIN2O4/c23-20-4-2-1-3-19(20)22(28)30-18-9-5-15(6-10-18)13-25-26-21(27)14-29-17-11-7-16(24)8-12-17/h1-13H,14H2,(H,26,27) |
| InChIK | CDHZZCHZPNZZTJ-UHFFFAOYSA-N |
| TotalMolweight | 534.732 |
| Molweight | 534.732 |
| MonoisotopicMass | 533.984333 |
| CLogP | 5.2501 |
| CLogS | -6.723 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 339.96 |
| Relative PSA | 0.20311 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.4711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate