3,5-dichloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
Formula:C18H13N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dichloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyridin-4-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyridin-4-amine |
| MolecularFormula | C18H13N3OCl2 |
| Smiles | Clc1cncc(Cl)c1N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C18H13Cl2N3O/c19-16-11-21-12-17(20)18(16)23-22-10-13-5-4-8-15(9-13)24-14-6-2-1-3-7-14/h1-12H,(H,21,23) |
| InChIK | OYXSNGZSVXBPGV-UHFFFAOYSA-N |
| TotalMolweight | 358.227 |
| Molweight | 358.227 |
| MonoisotopicMass | 357.043566 |
| CLogP | 6.4476 |
| CLogS | -6.123 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.6 |
| Relative PSA | 0.16359 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 2.0392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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