5-bromo-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide
Formula:C13H10N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide |
| MolecularFormula | C13H10N3O2Br |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C13H10BrN3O2/c14-11-7-10(8-15-9-11)13(18)17-16-5-1-3-12-4-2-6-19-12/h1-9H,(H,17,18) |
| InChIK | SAOQXKSHTOGKPG-UHFFFAOYSA-N |
| TotalMolweight | 320.145 |
| Molweight | 320.145 |
| MonoisotopicMass | 318.995638 |
| CLogP | 2.1329 |
| CLogS | -3.734 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.57 |
| Relative PSA | 0.27696 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 2.3734 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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