| MolName | N-[(Z)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C24H22N4O2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(CCCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H22N4O2/c29-24(19-11-13-25-14-12-19)27-26-17-20-18-28(23-10-5-4-9-22(20)23)15-6-16-30-21-7-2-1-3-8-21/h1-5,7-14,17-18H,6,15-16H2,(H,27,29) |
| InChIK | SYCBZOTYFYMFON-UHFFFAOYSA-N |
| TotalMolweight | 398.465 |
| Molweight | 398.465 |
| MonoisotopicMass | 398.174276 |
| CLogP | 4.102 |
| CLogS | -4.339 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.59 |
| Relative PSA | 0.19916 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.6881 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide