[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] benzoate
Formula:C19H13N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] benzoate is a drug-like molecule.
| MolName | [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] benzoate |
| MolecularFormula | C19H13N2O2Cl |
| Smiles | O=C(c1ccccc1)O/N=C(/c(cc1)ccc1Cl)\c1ccncc1 |
| InChI | InChI=1S/C19H13ClN2O2/c20-17-8-6-14(7-9-17)18(15-10-12-21-13-11-15)22-24-19(23)16-4-2-1-3-5-16/h1-13H |
| InChIK | ALNOSEOSXRUBOV-UHFFFAOYSA-N |
| TotalMolweight | 336.777 |
| Molweight | 336.777 |
| MonoisotopicMass | 336.066555 |
| CLogP | 4.7199 |
| CLogS | -5.488 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.68 |
| Relative PSA | 0.17665 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -2.4997 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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