N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
Formula:C23H17N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide |
| MolecularFormula | C23H17N3O |
| Smiles | O=C(c1cccc2ccccc12)N/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C23H17N3O/c27-23(21-12-6-10-17-7-4-5-11-20(17)21)26-25-22(18-8-2-1-3-9-18)19-13-15-24-16-14-19/h1-16H,(H,26,27) |
| InChIK | QJXPFNSWWBPVEN-UHFFFAOYSA-N |
| TotalMolweight | 351.408 |
| Molweight | 351.408 |
| MonoisotopicMass | 351.137162 |
| CLogP | 4.5918 |
| CLogS | -6.308 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.32 |
| Relative PSA | 0.1688 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.3384 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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