[(E)-(2,6-dichloropyridin-4-yl)methylideneamino] benzoate
Formula:C13H8N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(2,6-dichloropyridin-4-yl)methylideneamino] benzoate is a drug-like molecule.
| MolName | [(E)-(2,6-dichloropyridin-4-yl)methylideneamino] benzoate |
| MolecularFormula | C13H8N2O2Cl2 |
| Smiles | O=C(c1ccccc1)O/N=C/c1cc(Cl)nc(Cl)c1 |
| InChI | InChI=1S/C13H8Cl2N2O2/c14-11-6-9(7-12(15)17-11)8-16-19-13(18)10-4-2-1-3-5-10/h1-8H |
| InChIK | YFCFHXCAFCBTLM-UHFFFAOYSA-N |
| TotalMolweight | 295.125 |
| Molweight | 295.125 |
| MonoisotopicMass | 293.996282 |
| CLogP | 4.324 |
| CLogS | -3.974 |
| H Acceptors | 4 |
| TotalSurfaceArea | 215.13 |
| Relative PSA | 0.21159 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.2875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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