Biotin
Representations & DB's id
| ||
| ChEBI: | CHEBI:15956 | |
|---|---|---|
| ChEMBL: | CHEMBL857 | |
| PubChem: | 171548 | |
| IUPAC: | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid | |
| Standard InChI: | 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-/m0/s1 | |
| Standard InChI Key: | YBJHBAHKTGYVGT-ZKWXMUAHSA-N | |
| SMILES: | OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=N2)O | |
Molecular propeties
| ||
| AlogP: | 0.8 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 244.09 | |
| Topological polar surface area: | 104 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |