5-bromo-N-[1-(3-bromophenyl)ethylideneamino]pyridine-3-carboxamide
Formula:C14H11N3OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[1-(3-bromophenyl)ethylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[1-(3-bromophenyl)ethylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C14H11N3OBr2 |
| Smiles | CC(c1cc(Br)ccc1)=NNC(c1cc(Br)cnc1)=O |
| InChI | InChI=1S/C14H11Br2N3O/c1-9(10-3-2-4-12(15)5-10)18-19-14(20)11-6-13(16)8-17-7-11/h2-8H,1H3,(H,19,20) |
| InChIK | VLUPGBBDLVBLAN-UHFFFAOYSA-N |
| TotalMolweight | 397.069 |
| Molweight | 397.069 |
| MonoisotopicMass | 394.926884 |
| CLogP | 3.589 |
| CLogS | -4.954 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.48 |
| Relative PSA | 0.20122 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 1.4705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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