| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 12 | Yes |
Popular Name: 2-Methoxynaphthalene 2-Methoxynaphthalene
2-METHOXYNAPHTHALENE; [93-04-9]
6-Methoxy-1,2,3,4-tetrahydronaphthalene
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.18 | 1.34 | -5.07 | 0 | 1 | 0 | 9 | 158.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; Stable. Combustible. Incompatible with strong oxidizing agents. | Indofine |
| Boiling_Point | 272-274? | Alfa-Aesar |
| Boiling_Point | 272-274° | Alfa-Aesar |
| BP [°C] | 274 | Acros Organics |
| M.P | 70-73 °C | Indofine |
| Melting_Point | 70-75? | Alfa-Aesar |
| Melting_Point | 70-75° | Alfa-Aesar |
| MP | 73 | TCI |
| Mp [°C] | 73 - 75 | Acros Organics |
| MP | 73...75 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Purity | ¡Ý99% | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5-2-E | Cytochrome P450 2A5 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4603 | 0.62 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5_MOUSE | P20852 | Cytochrome P450 2A5, Mouse | 4600 | 0.62 | ADME/T ≤ 10μM |
