2,6-dichloro-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]pyridine-4-carboxamide
Formula:C12H6N4OCl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,6-dichloro-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | 2,6-dichloro-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C12H6N4OCl4 |
| Smiles | O=C(c1cc(Cl)nc(Cl)c1)N/N=C/c1cc(Cl)nc(Cl)c1 |
| InChI | InChI=1S/C12H6Cl4N4O/c13-8-1-6(2-9(14)18-8)5-17-20-12(21)7-3-10(15)19-11(16)4-7/h1-5H,(H,20,21) |
| InChIK | LQQVUTUNYVJADY-UHFFFAOYSA-N |
| TotalMolweight | 364.019 |
| Molweight | 364.019 |
| MonoisotopicMass | 361.929569 |
| CLogP | 4.0134 |
| CLogS | -4.127 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.19 |
| Relative PSA | 0.23539 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2,6-dichloro-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]pyridine-4-carboxamide | 2 - 2,6-dichloro-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off