| MolName | N-[2-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide |
| MolecularFormula | C25H21N4O2Cl |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H21ClN4O2/c26-21-12-10-19(11-13-21)25(32)27-15-24(31)29-28-14-20-17-30(16-18-6-2-1-3-7-18)23-9-5-4-8-22(20)23/h1-14,17H,15-16H2,(H,27,32)(H,29,31) |
| InChIK | DPHLIRXJLSYTJB-UHFFFAOYSA-N |
| TotalMolweight | 444.921 |
| Molweight | 444.921 |
| MonoisotopicMass | 444.135303 |
| CLogP | 4.421 |
| CLogS | -5.202 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 342.7 |
| Relative PSA | 0.19662 |
| PolarSurfaceArea | 75.49 |
| Druglikeness | 6.7305 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide | 2 - N-[2-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide