2-azido-3-[(E)-2-phenylethenyl]naphthalene-1,4-dione
Formula:C18H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-azido-3-[(E)-2-phenylethenyl]naphthalene-1,4-dione is a drug-like molecule.
| MolName | 2-azido-3-[(E)-2-phenylethenyl]naphthalene-1,4-dione |
| MolecularFormula | C18H11N3O2 |
| Smiles | [N-]=[N+]=NC(C(c1c2cccc1)=O)=C(/C=C/c1ccccc1)C2=O |
| InChI | InChI=1S/C18H11N3O2/c19-21-20-16-15(11-10-12-6-2-1-3-7-12)17(22)13-8-4-5-9-14(13)18(16)23/h1-11H |
| InChIK | CLIGIZBCEMXSRN-UHFFFAOYSA-N |
| TotalMolweight | 301.304 |
| Molweight | 301.304 |
| MonoisotopicMass | 301.085127 |
| CLogP | 3.3843 |
| CLogS | -4.768 |
| H Acceptors | 5 |
| TotalSurfaceArea | 235.08 |
| Relative PSA | 0.26999 |
| PolarSurfaceArea | 60.1 |
| Druglikeness | -3.2194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-azido-3-[(E)-2-phenylethenyl]naphthalene-1,4-dione | 2 - 2-azido-3-[(E)-2-phenylethenyl]naphthalene-1,4-dione
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