N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]pyrazine-2-carboxamide
Formula:C10H7N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C10H7N4OBrS |
| Smiles | O=C(c1nccnc1)N/N=C\c1cscc1Br |
| InChI | InChI=1S/C10H7BrN4OS/c11-8-6-17-5-7(8)3-14-15-10(16)9-4-12-1-2-13-9/h1-6H,(H,15,16) |
| InChIK | KUGACPVQWJTDMV-UHFFFAOYSA-N |
| TotalMolweight | 311.163 |
| Molweight | 311.163 |
| MonoisotopicMass | 309.952392 |
| CLogP | 1.7634 |
| CLogS | -2.889 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 199.08 |
| Relative PSA | 0.39336 |
| PolarSurfaceArea | 95.48 |
| Druglikeness | -0.45326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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