| MolName | [2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C23H17N3O4Cl2 |
| Smiles | O=C(CNC(c1cccc(Cl)c1)=O)N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C23H17Cl2N3O4/c24-18-10-8-15(9-11-18)23(31)32-20-7-2-1-4-17(20)13-27-28-21(29)14-26-22(30)16-5-3-6-19(25)12-16/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | DCKKDDFHMBKGHC-UHFFFAOYSA-N |
| TotalMolweight | 470.311 |
| Molweight | 470.311 |
| MonoisotopicMass | 469.059611 |
| CLogP | 4.9278 |
| CLogS | -6.43 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 348.31 |
| Relative PSA | 0.23987 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.1016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate