5-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
Formula:C20H16N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H16N3O2Br |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C20H16BrN3O2/c21-18-10-17(12-22-13-18)20(25)24-23-11-15-6-8-19(9-7-15)26-14-16-4-2-1-3-5-16/h1-13H,14H2,(H,24,25) |
| InChIK | KRKRTYFSQYKJPN-UHFFFAOYSA-N |
| TotalMolweight | 410.27 |
| Molweight | 410.27 |
| MonoisotopicMass | 409.042588 |
| CLogP | 4.274 |
| CLogS | -5.101 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.9 |
| Relative PSA | 0.19792 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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