Chemical Name - Bicalutamide
Mol Weight - 430.377
Smiles - CC(CS(c(cc1)ccc1F)(=O)=O)(C(Nc(cc1)cc(C(F)(F)F)c1C#N)=O)O
Mol Weight - 430.377
Smiles - CC(CS(c(cc1)ccc1F)(=O)=O)(C(Nc(cc1)cc(C(F)(F)F)c1C#N)=O)O
| Property Value | |
| Mol Name | Bicalutamide |
| Molweight | 430.377 |
| Monoisotopic Mass | 430.06104 |
| Clogp | 2.1426 |
| Clogs | -5.084 |
| H Acceptors | 6 |
| H Donors | 2 |
| Total Surface Area | 291.11 |
| Relative Psa | 0.27392 |
| Polar Surface Area | 115.64 |
| Druglikeness | -11.827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.55172 |
| Molecular Flexibility | 0.55336 |
| Molecular Complexity | 0.79764 |
| Fragments | 1 |
| Non H Atoms | 29 |
| Non Ch Atoms | 11 |
| Electronegative Atoms | 11 |
| Stereo Centers | 1 |
| Rotatable Bonds | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 5 |
| Amides | 1 |
| Smiles | CC(CS(c(cc1)ccc1F)(=O)=O)(C(Nc(cc1)cc(C(F)(F)F)c1C#N)=O)O |
| InChIKey | |
| InChI | C18H14N2O4F4S |
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