| MolName | [4-[(Z)-[3-[(2-chlorobenzoyl)amino]propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C24H19N3O4Cl2 |
| Smiles | O=C(CCNC(c(cccc1)c1Cl)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C24H19Cl2N3O4/c25-20-7-3-1-5-18(20)23(31)27-14-13-22(30)29-28-15-16-9-11-17(12-10-16)33-24(32)19-6-2-4-8-21(19)26/h1-12,15H,13-14H2,(H,27,31)(H,29,30) |
| InChIK | JSFTZQZOPPQQLW-UHFFFAOYSA-N |
| TotalMolweight | 484.338 |
| Molweight | 484.338 |
| MonoisotopicMass | 483.075261 |
| CLogP | 5.3822 |
| CLogS | -6.7 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 362.07 |
| Relative PSA | 0.23076 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.1116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[3-[(2-chlorobenzoyl)amino]propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[3-[(2-chlorobenzoyl)amino]propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate