N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C14H12N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C14H12N3OCl2 |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C14H11Cl2N3O/c15-12-6-4-5-11(14(12)16)9-17-18-13(20)10-19-7-2-1-3-8-19/h1-9H,10H2/p+1 |
| InChIK | WTHSBLJQKFFPRS-UHFFFAOYSA-O |
| TotalMolweight | 309.175 |
| Molweight | 309.175 |
| MonoisotopicMass | 308.035741 |
| CLogP | -1.0163 |
| CLogS | -3.528 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.89 |
| Relative PSA | 0.16938 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | 4.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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