3-bromo-N-[(Z)-quinolin-8-ylmethylideneamino]benzamide
Formula:C17H12N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-bromo-N-[(Z)-quinolin-8-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-quinolin-8-ylmethylideneamino]benzamide |
| MolecularFormula | C17H12N3OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c1cccc2cccnc12 |
| InChI | InChI=1S/C17H12BrN3O/c18-15-8-2-5-13(10-15)17(22)21-20-11-14-6-1-4-12-7-3-9-19-16(12)14/h1-11H,(H,21,22) |
| InChIK | KRBHBSBMKXNCCM-UHFFFAOYSA-N |
| TotalMolweight | 354.206 |
| Molweight | 354.206 |
| MonoisotopicMass | 353.016373 |
| CLogP | 4.2428 |
| CLogS | -5.261 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.98 |
| Relative PSA | 0.19659 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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