N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]pyridine-4-carboxamide
Formula:C27H20N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C27H20N4O |
| Smiles | O=C(c1ccncc1)N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C27H20N4O/c32-27(21-15-17-28-18-16-21)30-29-19-24-23-13-7-8-14-25(23)31(22-11-5-2-6-12-22)26(24)20-9-3-1-4-10-20/h1-19H,(H,30,32) |
| InChIK | QSHDRHBOOMIIPH-UHFFFAOYSA-N |
| TotalMolweight | 416.483 |
| Molweight | 416.483 |
| MonoisotopicMass | 416.163711 |
| CLogP | 5.4527 |
| CLogS | -8.518 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.07 |
| Relative PSA | 0.16364 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.4671 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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