Chemical Name - 1H-imidazole-1-carbonylchloride
Mol Weight - 130.534
Smiles - O=C(n1cncc1)Cl
Mol Weight - 130.534
Smiles - O=C(n1cncc1)Cl
| Property Value | |
| Mol Name | 1H-imidazole-1-carbonylchloride |
| Molweight | 130.534 |
| Monoisotopic Mass | 129.99339 |
| Clogp | 0.6702 |
| Clogs | -0.555 |
| H Acceptors | 3 |
| Total Surface Area | 94.39 |
| Relative Psa | 0.32715 |
| Polar Surface Area | 34.89 |
| Druglikeness | -2.5425 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.39787 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Aromatic Nitrogens | 2 |
| Smiles | O=C(n1cncc1)Cl |
| InChIKey | InChI=1S/C4H3ClN2O/c5-4(8)7-2-1-6-3-7/h1-3H |
| InChI | XOVUITMHPFXQPN-UHFFFAOYSA-N |
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