| MolName | N-[(Z)-3-(4-chloroanilino)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H18N3O2Cl |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1c[nH]c2c1cccc2)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C24H18ClN3O2/c25-18-10-12-19(13-11-18)27-24(30)22(28-23(29)16-6-2-1-3-7-16)14-17-15-26-21-9-5-4-8-20(17)21/h1-15,26H,(H,27,30)(H,28,29) |
| InChIK | UKZHVWNLKHRWJB-UHFFFAOYSA-N |
| TotalMolweight | 415.879 |
| Molweight | 415.879 |
| MonoisotopicMass | 415.108754 |
| CLogP | 5.0692 |
| CLogS | -6.134 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 315.5 |
| Relative PSA | 0.19965 |
| PolarSurfaceArea | 73.99 |
| Druglikeness | 3.2297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-3-(4-chloroanilino)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-(4-chloroanilino)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide