Chemical Name - Pentaerythritol
Mol Weight - 136.146
Smiles - OCC(CO)(CO)CO
Mol Weight - 136.146
Smiles - OCC(CO)(CO)CO
| Property Value | |
| Mol Name | Pentaerythritol |
| Molweight | 136.146 |
| Monoisotopic Mass | 136.07356 |
| Clogp | -1.4911 |
| Clogs | 0.437 |
| H Acceptors | 4 |
| H Donors | 4 |
| Total Surface Area | 104.35 |
| Relative Psa | 0.50216 |
| Polar Surface Area | 80.92 |
| Druglikeness | -5.0775 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.87435 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 6 |
| Smiles | OCC(CO)(CO)CO |
| InChIKey | InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 |
| InChI | WXZMFSXDPGVJKK-UHFFFAOYSA-N |
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