N-[(E)-(1-hydroxyquinolin-4-ylidene)amino]benzamide
Formula:C16H13N3O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(E)-(1-hydroxyquinolin-4-ylidene)amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-(1-hydroxyquinolin-4-ylidene)amino]benzamide |
| MolecularFormula | C16H13N3O2 |
| Smiles | ON(C=C1)c(cccc2)c2/C1=N/NC(c1ccccc1)=O |
| InChI | InChI=1S/C16H13N3O2/c20-16(12-6-2-1-3-7-12)18-17-14-10-11-19(21)15-9-5-4-8-13(14)15/h1-11,21H,(H,18,20) |
| InChIK | NOVDAFARERLFCY-UHFFFAOYSA-N |
| TotalMolweight | 279.298 |
| Molweight | 279.298 |
| MonoisotopicMass | 279.100777 |
| CLogP | 2.3677 |
| CLogS | -3.967 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.85 |
| Relative PSA | 0.2451 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 3.3965 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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