Chemical Name - Iminodiacetic Acid
Mol Weight - 133.103
Smiles - OC(CNCC(O)=O)=O
Mol Weight - 133.103
Smiles - OC(CNCC(O)=O)=O
| Property Value | |
| Mol Name | Iminodiacetic Acid |
| Molweight | 133.103 |
| Monoisotopic Mass | 133.037509 |
| Clogp | -3.5332 |
| Clogs | 0.281 |
| H Acceptors | 5 |
| H Donors | 3 |
| Total Surface Area | 100.68 |
| Relative Psa | 0.63309 |
| Polar Surface Area | 86.63 |
| Druglikeness | -2.6644 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.62099 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 4 |
| Smiles | OC(CNCC(O)=O)=O |
| InChIKey | InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9) |
| InChI | NBZBKCUXIYYUSX-UHFFFAOYSA-N |
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1 - Iminodiacetic Acid
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