Chemical Name - Neo Pentyl Glycol
Mol Weight - 104.148
Smiles - CC(C)(CO)CO
Mol Weight - 104.148
Smiles - CC(C)(CO)CO
| Property Value | |
| Mol Name | Neo Pentyl Glycol |
| Molweight | 104.148 |
| Monoisotopic Mass | 104.08373 |
| Clogp | 0.3623 |
| Clogs | -0.577 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 88.65 |
| Relative Psa | 0.29554 |
| Polar Surface Area | 40.46 |
| Druglikeness | -10.148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.79846 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 3 |
| Smiles | CC(C)(CO)CO |
| InChIKey | |
| InChI | C5H12O2 |
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1 - Neo Pentyl Glycol
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2 - Neo Pentyl Glycol
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