Seleno-methyl-seleno cysteine
PubChem CID: 129712298
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| Compound Synonyms | seleno-methyl-seleno cysteine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 64.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Aminoacids |
| Deep Smiles | C[Se][Se]=[Se])C))CC=O)O))CS))N |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12NO2SSe3 |
| Inchi Key | AWBBKAHMFAFVMA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | seleno-methyl-seleno cysteine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CN, CS, C[Se](C)[Se](C)=[Se] |
| Compound Name | Seleno-methyl-seleno cysteine |
| Exact Mass | 387.809 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 389.808 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 387.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12NO2SSe3/c1-11(12(2)10)5(6,3-9)4(7)8/h9H,3,6H2,1-2H3,(H,7,8) |
| Smiles | C[Se](C(CS)(C(=O)O)N)[Se](=[Se])C |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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