| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C30H19N3O6Cl4 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C30H19Cl4N3O6/c31-21-7-1-17(2-8-21)29(40)42-23-11-5-20(26(14-23)43-30(41)18-3-9-22(32)10-4-18)15-36-37-27(38)16-35-28(39)19-6-12-24(33)25(34)13-19/h1-15H,16H2,(H,35,39)(H,37,38) |
| InChIK | UTHFTLJZCQZQSW-UHFFFAOYSA-N |
| TotalMolweight | 659.308 |
| Molweight | 659.308 |
| MonoisotopicMass | 657.002795 |
| CLogP | 7.5703 |
| CLogS | -9.372 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 466.66 |
| Relative PSA | 0.22841 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 5.1016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53488 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate