N-[(E)-(3-bromophenyl)methylideneamino]quinoline-2-carboxamide
Formula:C17H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-bromophenyl)methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(3-bromophenyl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C17H12N3OBr |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C/c1cccc(Br)c1 |
| InChI | InChI=1S/C17H12BrN3O/c18-14-6-3-4-12(10-14)11-19-21-17(22)16-9-8-13-5-1-2-7-15(13)20-16/h1-11H,(H,21,22) |
| InChIK | QPJLIRYKTNTPQG-UHFFFAOYSA-N |
| TotalMolweight | 354.206 |
| Molweight | 354.206 |
| MonoisotopicMass | 353.016373 |
| CLogP | 4.2968 |
| CLogS | -5.285 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.98 |
| Relative PSA | 0.19659 |
| 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 | 0.63636 |
| 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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