3-chloro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
Formula:C12H10N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline |
| MolecularFormula | C12H10N3Cl |
| Smiles | Clc1cc(N/N=C\c2ccncc2)ccc1 |
| InChI | InChI=1S/C12H10ClN3/c13-11-2-1-3-12(8-11)16-15-9-10-4-6-14-7-5-10/h1-9,16H |
| InChIK | XUFFHMYGXVOKDB-UHFFFAOYSA-N |
| TotalMolweight | 231.685 |
| Molweight | 231.685 |
| MonoisotopicMass | 231.056324 |
| CLogP | 4.446 |
| CLogS | -3.09 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 183.42 |
| Relative PSA | 0.18504 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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