Chemical Name - Di Ethanol Amine
Mol Weight - 105.136
Smiles - OCCNCCO
Mol Weight - 105.136
Smiles - OCCNCCO
| Property Value | |
| Mol Name | Di Ethanol Amine |
| Molweight | 105.136 |
| Monoisotopic Mass | 105.078979 |
| Clogp | -1.4429 |
| Clogs | 0.245 |
| H Acceptors | 3 |
| H Donors | 3 |
| Total Surface Area | 92.7 |
| Relative Psa | 0.40626 |
| Polar Surface Area | 52.49 |
| Druglikeness | -0.25466 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.71747 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 3 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | OCCNCCO |
| InChIKey | InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 |
| InChI | ZBCBWPMODOFKDW-UHFFFAOYSA-N |
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