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Untitled Document
Untitled Document
Untitled Document
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THIAMIN
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| Chemical Formula |
: C12-H17-N4-O-S+ |
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| IUPAC Name |
: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol |
| CAS Registry Number / CID |
: cid-1130 |
| SMILES Notation |
: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO |
| Molecular weight |
: 265.35458 [g/mol] |
| x log P |
: 2.169 |
| H Bond Donor |
: 4 |
| H Bond Acceptor |
: 2 |
Molecular Structure |
| Rotatable bond count |
: 4 |
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Biological Activities |
Drug likeness / ADMET
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Constituents
(Alphabetical order) |
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