5-bromo-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide
Formula:C14H9N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C14H9N3O3BrCl |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C14H9BrClN3O3/c15-10-1-9(4-17-6-10)14(20)19-18-5-8-2-12-13(3-11(8)16)22-7-21-12/h1-6H,7H2,(H,19,20) |
| InChIK | ILGIBMVJVLXFAF-UHFFFAOYSA-N |
| TotalMolweight | 382.6 |
| Molweight | 382.6 |
| MonoisotopicMass | 380.95158 |
| CLogP | 3.6433 |
| CLogS | -5.207 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.06 |
| Relative PSA | 0.27901 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 2.4705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-bromo-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide | 2 - 5-bromo-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-3-carboxamide
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