Chemical Name - Di Ethyl Amino Ethanol
Mol Weight - 117.191
Smiles - CCCC(CC)(N)O
Mol Weight - 117.191
Smiles - CCCC(CC)(N)O
| Property Value | |
| Mol Name | Di Ethyl Amino Ethanol |
| Molweight | 117.191 |
| Monoisotopic Mass | 117.115364 |
| Clogp | 1.2494 |
| Clogs | -1.424 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 104.58 |
| Relative Psa | 0.27128 |
| Polar Surface Area | 46.25 |
| Druglikeness | -1.4716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.80725 |
| Molecular Complexity | 0.64864 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 1 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 8 |
| Basic Nitrogens | 1 |
| Smiles | CCCC(CC)(N)O |
| InChIKey | InChI=1S/C6H15NO/c1-3-5-6(7,8)4-2/h8H,3-5,7H2,1-2H3 |
| InChI | RJBDHWWYGWLHPF-UHFFFAOYSA-N |
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