| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 5-Nitroindole 5-Nitroindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6146-52-7 , N/A , [6146-52-7]
| 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) | 2.10 | 0.69 | -9.12 | 1 | 4 | 0 | 62 | 162.148 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 139 | TCI |
| Melting_Point | 139-143? | Alfa-Aesar |
| Melting_Point | 139-143° | Alfa-Aesar |
| MP | 140 - 142 | Enamine Building Blocks |
| MP | 140-142° | Fluorochem |
| MP | 140...142 | Enamine Building Blocks |
| MP | 141 - 142 | Enamine Building Blocks |
| MP | 141-142° | Matrix Scientific |
| MP | 142 - 142 | Enamine Building Blocks |
| MP | 142 - 144 | Enamine Building Blocks |
| Mp [°C] | 205 - 207 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP1047692A1 | IBM Patent Data |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful/Store in Freezer | Matrix Scientific |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| R phrase | R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| PUBCHEM_PATENT_ID | US6080743; WO1997008155A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.