| MolName | N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C37H28N3O2Cl |
| Smiles | OC(C(N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Cl)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C37H28ClN3O2/c38-32-21-23-33(24-22-32)41-34(27-13-5-1-6-14-27)25-29(35(41)28-15-7-2-8-16-28)26-39-40-36(42)37(43,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-26,43H,(H,40,42) |
| InChIK | YOXBHEGRHHMRFG-UHFFFAOYSA-N |
| TotalMolweight | 582.101 |
| Molweight | 582.101 |
| MonoisotopicMass | 581.187004 |
| CLogP | 7.7732 |
| CLogS | -11.032 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 447.41 |
| Relative PSA | 0.12512 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 6.4206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.39535 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 35 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide