3-hydroxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
Formula:C19H12N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C19H12N2O3 |
| Smiles | Oc1cccc(C(N/N=C(\c2c(c3ccc4)c4ccc2)/C3=O)=O)c1 |
| InChI | InChI=1S/C19H12N2O3/c22-13-7-1-6-12(10-13)19(24)21-20-17-14-8-2-4-11-5-3-9-15(16(11)14)18(17)23/h1-10,22H,(H,21,24) |
| InChIK | LOYFLUBHRRACPS-UHFFFAOYSA-N |
| TotalMolweight | 316.315 |
| Molweight | 316.315 |
| MonoisotopicMass | 316.084793 |
| CLogP | 3.4882 |
| CLogS | -5.621 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 230.4 |
| Relative PSA | 0.26975 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 4.1765 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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