Chemical Name - D-Biotin
Mol Weight - 244.314
Smiles - OC(CCCC[C@@H]([C@H]1N2)SC[C@@H]1NC2=O)=O
Mol Weight - 244.314
Smiles - OC(CCCC[C@@H]([C@H]1N2)SC[C@@H]1NC2=O)=O
| Property Value | |
| Mol Name | D-Biotin |
| Molweight | 244.314 |
| Monoisotopic Mass | 244.088163 |
| Clogp | 0.605 |
| Clogs | -2.436 |
| H Acceptors | 5 |
| H Donors | 3 |
| Total Surface Area | 175.06 |
| Relative Psa | 0.45464 |
| Polar Surface Area | 103.73 |
| Druglikeness | -13.535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6875 |
| Molecular Flexibility | 0.36908 |
| Molecular Complexity | 0.72049 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Stereo Centers | 3 |
| Rotatable Bonds | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3 Atoms | 10 |
| Amides | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(CCCC[C@@H]([C@H]1N2)SC[C@@H]1NC2=O)=O |
| InChIKey | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m1/s1 |
| InChI | YBJHBAHKTGYVGT-BKPPORCPSA-N |
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