3,5-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridin-2-amine
Formula:C11H8N4Cl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3,5-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridin-2-amine |
| MolecularFormula | C11H8N4Cl2 |
| Smiles | Clc1cc(Cl)c(N/N=C\c2ccncc2)nc1 |
| InChI | InChI=1S/C11H8Cl2N4/c12-9-5-10(13)11(15-7-9)17-16-6-8-1-3-14-4-2-8/h1-7H,(H,15,17) |
| InChIK | UDXAJSLZFDGQKY-UHFFFAOYSA-N |
| TotalMolweight | 267.119 |
| Molweight | 267.119 |
| MonoisotopicMass | 266.0126 |
| CLogP | 4.4025 |
| CLogS | -3.556 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.6 |
| Relative PSA | 0.22728 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3,5-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off