Chemical Name - Kalignost
Mol Weight - 319.234
Smiles - c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Na+]
Mol Weight - 319.234
Smiles - c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Na+]
| Property Value | |
| Mol Name | Kalignost |
| Molweight | 319.234 |
| Monoisotopic Mass | 319.165805 |
| Clogp | 5.532 |
| Clogs | -4.15 |
| Total Surface Area | 266.08 |
| Druglikeness | -5.9475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.36 |
| Molecular Flexibility | 0.41725 |
| Molecular Complexity | 0.65205 |
| Fragments | 2 |
| Non H Atoms | 25 |
| Non Ch Atoms | 1 |
| Rotatable Bonds | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetric Atoms | 20 |
| Smiles | c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Na+] |
| InChIKey | InChI=1S/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1 |
| InChI | HFSRCEJMTLMDLI-UHFFFAOYSA-N |
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1 - Kalignost
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2 - Kalignost
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