Chemical Name - Allantoin
Mol Weight - 158.117
Smiles - NC(N[C@H](C(N1)=O)NC1=O)=O
Mol Weight - 158.117
Smiles - NC(N[C@H](C(N1)=O)NC1=O)=O
| Property Value | |
| Mol Name | Allantoin |
| Molweight | 158.117 |
| Monoisotopic Mass | 158.043991 |
| Clogp | -2.0783 |
| Clogs | -1.109 |
| H Acceptors | 7 |
| H Donors | 4 |
| Total Surface Area | 108.65 |
| Relative Psa | 0.81703 |
| Polar Surface Area | 113.32 |
| Druglikeness | 2.9576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.20999 |
| Molecular Complexity | 0.72752 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Stereo Centers | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 1 |
| Amides | 4 |
| Smiles | NC(N[C@H](C(N1)=O)NC1=O)=O |
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1 - Allantoin
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