[(E)-[phenyl(pyridin-4-yl)methylidene]amino] naphthalene-1-carboxylate
Formula:C23H16N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-4-yl)methylidene]amino] naphthalene-1-carboxylate |
| MolecularFormula | C23H16N2O2 |
| Smiles | O=C(c1cccc2ccccc12)O/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C23H16N2O2/c26-23(21-12-6-10-17-7-4-5-11-20(17)21)27-25-22(18-8-2-1-3-9-18)19-13-15-24-16-14-19/h1-16H |
| InChIK | OVUXOIGNIDIHQA-UHFFFAOYSA-N |
| TotalMolweight | 352.392 |
| Molweight | 352.392 |
| MonoisotopicMass | 352.121178 |
| CLogP | 5.3083 |
| CLogS | -6.358 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.86 |
| Relative PSA | 0.16442 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -2.5851 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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