N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]pyridine-3-carboxamide
Formula:C18H11N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]pyridine-3-carboxamide |
| MolecularFormula | C18H11N3O2 |
| Smiles | O=C(c1cnccc1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O |
| InChI | InChI=1S/C18H11N3O2/c22-17-14-8-2-5-11-4-1-7-13(15(11)14)16(17)20-21-18(23)12-6-3-9-19-10-12/h1-10H,(H,21,23) |
| InChIK | XLVPHWOHCYCZEX-UHFFFAOYSA-N |
| TotalMolweight | 301.304 |
| Molweight | 301.304 |
| MonoisotopicMass | 301.085127 |
| CLogP | 2.833 |
| CLogS | -5.122 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 222.81 |
| Relative PSA | 0.26938 |
| PolarSurfaceArea | 71.42 |
| Druglikeness | 4.2011 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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