5-bromo-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]furan-2-carboxamide
Formula:C17H12N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]furan-2-carboxamide |
| MolecularFormula | C17H12N3O2Br |
| Smiles | O=C(c(o1)ccc1Br)N/N=C(\c1ccccc1)/c1cnccc1 |
| InChI | InChI=1S/C17H12BrN3O2/c18-15-9-8-14(23-15)17(22)21-20-16(12-5-2-1-3-6-12)13-7-4-10-19-11-13/h1-11H,(H,21,22) |
| InChIK | SDJTVTSRDMRYSK-UHFFFAOYSA-N |
| TotalMolweight | 370.205 |
| Molweight | 370.205 |
| MonoisotopicMass | 369.011288 |
| CLogP | 3.4087 |
| CLogS | -4.981 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.04 |
| Relative PSA | 0.24238 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 1.3945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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