| MolName | 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C23H18N2O2Cl2 |
| Smiles | OC(C(N/N=C\C=C\c1ccccc1)=O)(c(cc1)ccc1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H18Cl2N2O2/c24-20-12-8-18(9-13-20)23(29,19-10-14-21(25)15-11-19)22(28)27-26-16-4-7-17-5-2-1-3-6-17/h1-16,29H,(H,27,28) |
| InChIK | SUPUGWFFVOTITG-UHFFFAOYSA-N |
| TotalMolweight | 425.314 |
| Molweight | 425.314 |
| MonoisotopicMass | 424.074532 |
| CLogP | 4.7122 |
| CLogS | -6.191 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 320.85 |
| Relative PSA | 0.15306 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 5.5091 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide