Mol Weight - 184.194
Smiles - O=Cc1ccc(ccc(C=O)c2)c2c1
| Property Name | Property Value |
| Mol Name | Naphthalene-2,7-dicarboxaldehyde |
| Molweight | 184.194 |
| Monoisotopic Mass | 184.05243 |
| Clogp | 2.7206 |
| Clogs | -3.87 |
| H Acceptors | 2 |
| Total Surface Area | 146.94 |
| Relative Psa | 0.17749 |
| Polar Surface Area | 34.14 |
| Druglikeness | -4.225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.28234 |
| Molecular Complexity | 0.67279 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Symmetric Atoms | 6 |
| Smiles | O=Cc1ccc(ccc(C=O)c2)c2c1 |
| InChIKey | InChI=1S/C12H8O2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-8H |
| InChI | WSPGRORDDACGQK-UHFFFAOYSA-N |
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1 — Naphthalene-2,7-dicarboxaldehyde | 2 — Naphthalene-2,7-dicarboxaldehyde