| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 14 | Yes |
Popular Name: Phenanthrene Phenanthrene
85-01-8; C11422; Phenanthracene; Phenanthrene
CHEBI:44893; CHEBI:8051; CHEBI:25951
PEY; Phenanthracene; Phenanthren; Phenanthrene; Phenanthrin; Ravatite; bmse000560
| 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) | 4.30 | 8.89 | -5.28 | 0 | 0 | 0 | 0 | 178.234 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 100 | TCI |
| ALOGPS_SOLUBILITY | 3.41e-04 g/l | DrugBank-experimental |
| BP [°C] | 336 | Acros Organics |
| BP | 340 | TCI |
| Boiling_Point | 340? | Alfa-Aesar |
| Boiling_Point | 340° | Alfa-Aesar |
| Mp [°C] | 95 - 101 | Acros Organics |
| Purity | 95% | APIChem |
| Melting_Point | 97-101? | Alfa-Aesar |
| Melting_Point | 97-101° | Alfa-Aesar |
| UniProt Database Links | DPDD_ALCFA; PHDJ_NOCSK; PHDK_NOCSK; SALAT_PAPSO | ChEBI |
| Patent Database Links | EP0791849; EP0805188; EP0976703; EP1122291; EP1357103; EP1380556; EP1437395; EP1439187; EP1457548; EP1514844; EP1555264; EP1666970; EP1715019; EP1795529; EP1914226; EP1944308; GB2333454; GB2337752; GB2343179; US2002019440; US2002102612; US2002165206; US20 | ChEBI |
| H phrase | H302: Harmful if swallowed; H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| P phrase | P264: Wash face, hands and any exposed skin thoroughly after handling; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S29: Do not empty into drains. | Acros Organics |
| S phrase | S29: Do not empty into drains.; S36/37: Wear suitable protective clothing and gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.