N-[(Z)-benzylideneamino]quinoline-2-carboxamide
Formula:C17H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C17H13N3O |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H13N3O/c21-17(20-18-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h1-12H,(H,20,21) |
| InChIK | CJULNTWWLVOPQN-UHFFFAOYSA-N |
| TotalMolweight | 275.31 |
| Molweight | 275.31 |
| MonoisotopicMass | 275.105862 |
| CLogP | 3.5716 |
| CLogS | -4.451 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.35 |
| Relative PSA | 0.21321 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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