Compound Information | SONAR Target prediction |
Name: | THIAMINE |
Unique Identifier: | SPE01505464 |
MolClass: | Checkout models in ver1.5 and ver1.0 |
Molecular Formula: | C12Cl2H19N4OS |
Molecular Weight: | 319.126 g/mol |
X log p: | (online calculus) |
Lipinksi Failures | |
TPSA | |
Hydrogen Bond Donor Count: | |
Hydrogen Bond Acceptors Count: | |
Rotatable Bond Count: | |
Canonical Smiles: | [ClH-].Cl.Cc1nc(N)cc(C[n+]2csc(CCO)c2C)n1 |
Class: | alkaloid |
Source: | rice husks, wheat germ, yeast |
Therapeutics: | vitamin B1, enzyme cofactor |