4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C13H10N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C13H10N3OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H10BrN3O/c14-12-5-3-11(4-6-12)13(18)17-16-9-10-2-1-7-15-8-10/h1-9H,(H,17,18) |
| InChIK | VPIOBXSOYPIULO-UHFFFAOYSA-N |
| TotalMolweight | 304.146 |
| Molweight | 304.146 |
| MonoisotopicMass | 303.000723 |
| CLogP | 2.9259 |
| CLogS | -3.76 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 204.38 |
| Relative PSA | 0.22987 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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