Debromo-Z-axinohydantoin
PubChem CID: 85132627
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| Compound Synonyms | Debromo-Z-axinohydantoin, GLXC-03478 |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(8-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-4-ylidene)imidazolidine-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C11H10N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOYLWFAZPQYOGQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.792 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.688 |
| Compound Name | Debromo-Z-axinohydantoin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.075 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.075 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 246.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4398567555555553 |
| Inchi | InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18) |
| Smiles | C1CNC(=O)C2=C(C1=C3C(=O)NC(=O)N3)C=CN2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinocystis Fabacea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vernonia Arctioides (Plant) Rel Props:Source_db:cmaup_ingredients