[(E)-[phenyl(pyridin-4-yl)methylidene]amino] benzoate
Formula:C19H14N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-4-yl)methylidene]amino] benzoate |
| MolecularFormula | C19H14N2O2 |
| Smiles | O=C(c1ccccc1)O/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C19H14N2O2/c22-19(17-9-5-2-6-10-17)23-21-18(15-7-3-1-4-8-15)16-11-13-20-14-12-16/h1-14H |
| InChIK | QSAIOHCGJHIPDC-UHFFFAOYSA-N |
| TotalMolweight | 302.332 |
| Molweight | 302.332 |
| MonoisotopicMass | 302.105528 |
| CLogP | 4.1139 |
| CLogS | -4.752 |
| H Acceptors | 4 |
| TotalSurfaceArea | 242.26 |
| Relative PSA | 0.1879 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -2.5851 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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