N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
Formula:C20H16N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H16N3O2Br |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H16BrN3O2/c21-18-8-9-19(26-14-15-5-2-1-3-6-15)17(11-18)13-23-24-20(25)16-7-4-10-22-12-16/h1-13H,14H2,(H,24,25) |
| InChIK | TVZNQRAHBXVFSG-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 | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| 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 | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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