Mol Weight - 172.183
Smiles - Oc1c(C=O)c2ccccc2cc1
| Property Name | Property Value |
| Mol Name | 2-Hydroxy-1-Naphthaldehyde |
| Molweight | 172.183 |
| Monoisotopic Mass | 172.05243 |
| Clogp | 2.4416 |
| Clogs | -3.25 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 133.75 |
| Relative Psa | 0.19544 |
| Polar Surface Area | 37.3 |
| Druglikeness | -4.1407 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.19399 |
| Molecular Complexity | 0.66755 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 1 |
| Smiles | Oc1c(C=O)c2ccccc2cc1 |
| InChIKey | InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H |
| InChI | NTCCNERMXRIPTR-UHFFFAOYSA-N |
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1 — 2-Hydroxy-1-Naphthaldehyde | 2 — 2-Hydroxy-1-Naphthaldehyde