[(Z)-(2,6-dichlorophenyl)methylideneamino] 2,5-dichloropyridine-3-carboxylate
Formula:C13H6N2O2Cl4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(2,6-dichlorophenyl)methylideneamino] 2,5-dichloropyridine-3-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(2,6-dichlorophenyl)methylideneamino] 2,5-dichloropyridine-3-carboxylate |
| MolecularFormula | C13H6N2O2Cl4 |
| Smiles | O=C(c1cc(Cl)cnc1Cl)O/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H6Cl4N2O2/c14-7-4-8(12(17)18-5-7)13(20)21-19-6-9-10(15)2-1-3-11(9)16/h1-6H |
| InChIK | LAJYKIOENYHLFF-UHFFFAOYSA-N |
| TotalMolweight | 364.015 |
| Molweight | 364.015 |
| MonoisotopicMass | 361.918336 |
| CLogP | 5.4386 |
| CLogS | -5.683 |
| H Acceptors | 4 |
| TotalSurfaceArea | 245.97 |
| Relative PSA | 0.18506 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.2875 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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