| MolName | N-[(Z)-3-(3-hydroxyanilino)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H19N3O3 |
| Smiles | Oc1cccc(NC(/C(/NC(c2ccccc2)=O)=C/c2c[nH]c3c2cccc3)=O)c1 |
| InChI | InChI=1S/C24H19N3O3/c28-19-10-6-9-18(14-19)26-24(30)22(27-23(29)16-7-2-1-3-8-16)13-17-15-25-21-12-5-4-11-20(17)21/h1-15,25,28H,(H,26,30)(H,27,29) |
| InChIK | IANTWUQHUNAMPH-UHFFFAOYSA-N |
| TotalMolweight | 397.433 |
| Molweight | 397.433 |
| MonoisotopicMass | 397.142642 |
| CLogP | 4.1175 |
| CLogS | -5.102 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 306.43 |
| Relative PSA | 0.24831 |
| PolarSurfaceArea | 94.22 |
| Druglikeness | 3.1826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-3-(3-hydroxyanilino)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-(3-hydroxyanilino)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide