Dehydroluciferin
PubChem CID: 135767898
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| Compound Synonyms | Dehydroluciferin, 20115-09-7, 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxylic acid, dehydro-luciferin, CHEBI:134221, 2-(6-Hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid, dehydroluciferin (L), dehydroluciferyl-adenylate, SCHEMBL4746701, DTXSID401347299, Dehydroluciferin, BioReagent, >=97.0% (HPLC), 2-(6-Hydroxybenzo[d]thiazol-2-yl)thiazole-4-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C11H6N2O3S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYCGRDQQIOGCKX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.494 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.081 |
| Compound Name | Dehydroluciferin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.982 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.982 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6534023555555555 |
| Inchi | InChI=1S/C11H6N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-4,14H,(H,15,16) |
| Smiles | C1=CC2=C(C=C1O)SC(=N2)C3=NC(=CS3)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Derris Scandens (Plant) Rel Props:Source_db:cmaup_ingredients