[(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2,4-dichlorobenzoate
Formula:C19H12N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2,4-dichlorobenzoate |
| MolecularFormula | C19H12N2O2Cl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)O/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C19H12Cl2N2O2/c20-15-6-7-16(17(21)12-15)19(24)25-23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12H |
| InChIK | HYQCGMQYLCLNGC-UHFFFAOYSA-N |
| TotalMolweight | 371.222 |
| Molweight | 371.222 |
| MonoisotopicMass | 370.027582 |
| CLogP | 5.3259 |
| CLogS | -6.224 |
| H Acceptors | 4 |
| TotalSurfaceArea | 273.1 |
| Relative PSA | 0.16668 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -2.4997 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2,4-dichlorobenzoate | 2 - [(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2,4-dichlorobenzoate
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