Chemical Name - Sodium ethyl paraben
Mol Weight - 166.175
Smiles - CCOC(c(cc1)ccc1O)=O.[Na]
Mol Weight - 166.175
Smiles - CCOC(c(cc1)ccc1O)=O.[Na]
| Property Value | |
| Mol Name | Sodium ethyl paraben |
| Molweight | 166.175 |
| Monoisotopic Mass | 166.062995 |
| Clogp | 1.6332 |
| Clogs | -1.761 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 133.38 |
| Relative Psa | 0.27096 |
| Polar Surface Area | 46.53 |
| Druglikeness | -5.3635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.42946 |
| Molecular Complexity | 0.54931 |
| Fragments | 2 |
| Non H Atoms | 12 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Smiles | CCOC(c(cc1)ccc1O)=O.[Na] |
| InChIKey | InChI=1S/C9H10O3.Na.H/c1-2-12-9(11)7-3-5-8(10)6-4-7;;/h3-6,10H,2H2,1H3;; |
| InChI | YQUPWTOMYMRYQW-UHFFFAOYSA-N |
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