Chemical Name - Di Propylene Glycol
Mol Weight - 134.174
Smiles - CC(COC(C)CO)O
Mol Weight - 134.174
Smiles - CC(COC(C)CO)O
| Property Value | |
| Mol Name | Di Propylene Glycol |
| Molweight | 134.174 |
| Monoisotopic Mass | 134.094295 |
| Clogp | -0.2501 |
| Clogs | -0.647 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 113.24 |
| Relative Psa | 0.31968 |
| Polar Surface Area | 49.69 |
| Druglikeness | -7.7015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.6375 |
| Molecular Complexity | 0.44794 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 2 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 9 |
| Smiles | CC(COC(C)CO)O |
| InChIKey | InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3 |
| InChI | DUFKCOQISQKSAV-UHFFFAOYSA-N |
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