Chemical Name - Hepes
Mol Weight - 238.307
Smiles - OCCN1CCN(CCS(O)(=O)=O)CC1
Mol Weight - 238.307
Smiles - OCCN1CCN(CCS(O)(=O)=O)CC1
| Property Value | |
| Mol Name | Hepes |
| Molweight | 238.307 |
| Monoisotopic Mass | 238.098728 |
| Clogp | -4.3246 |
| Clogs | 1.307 |
| H Acceptors | 6 |
| H Donors | 2 |
| Total Surface Area | 171.96 |
| Relative Psa | 0.35985 |
| Polar Surface Area | 89.46 |
| Druglikeness | -11.957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.73333 |
| Molecular Flexibility | 0.65014 |
| Molecular Complexity | 0.50791 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 13 |
| Symmetric Atoms | 3 |
| Amines | 2 |
| Alkyl Amines | 2 |
| Basic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | OCCN1CCN(CCS(O)(=O)=O)CC1 |
| InChIKey | InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) |
| InChI | JKMHFZQWWAIEOD-UHFFFAOYSA-N |
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