2-(iodoamino)acetic acid
Formula:C2H4NO2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(iodoamino)acetic acid is a drug-like molecule.
| MolName | 2-(iodoamino)acetic acid |
| MolecularFormula | C2H4NO2I |
| Smiles | OC(CNI)=O |
| InChI | InChI=1S/C2H4INO2/c3-4-1-2(5)6/h4H,1H2,(H,5,6) |
| InChIK | YEDWGVWMZXICSQ-UHFFFAOYSA-N |
| TotalMolweight | 200.959 |
| Molweight | 200.959 |
| MonoisotopicMass | 200.928677 |
| CLogP | -1.9021 |
| CLogS | -0.862 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 89.1 |
| Relative PSA | 0.422 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -1.9308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | Cl,Br,I on N,O,P,S,Se,I |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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