Chemical Name - 1,3-Dichloro-2-Propanol
Mol Weight - 128.986
Smiles - OC(CCl)CCl
Mol Weight - 128.986
Smiles - OC(CCl)CCl
| Property Value | |
| Mol Name | 1,3-Dichloro-2-Propanol |
| Molweight | 128.986 |
| Monoisotopic Mass | 127.979569 |
| Clogp | 0.8684 |
| Clogs | -1.657 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 90.71 |
| Relative Psa | 0.14442 |
| Polar Surface Area | 20.23 |
| Druglikeness | -1.4475 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.69155 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Smiles | OC(CCl)CCl |
| InChIKey | InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2 |
| InChI | DEWLEGDTCGBNGU-UHFFFAOYSA-N |
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1 - 1,3-Dichloro-2-Propanol
2 - 1,3-Dichloro-2-Propanol
1 - 1,3-Dichloro-2-Propanol
2 - 1,3-Dichloro-2-Propanol
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