Iodinin
PubChem CID: 135441735
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| Compound Synonyms | Iodinin, Iodinine, 68-81-5, 1,6-Phenazinediol 5,10-dioxide, IODININ [MI], 5,10-dioxidophenazine-5,10-diium-1,6-diol, 1,6-Dihydroxyphenazine-5,10-dioxide, NSC-402910, 1,6-Phenazinediol, 5,10-dioxide, G1239096EO, UNII-G1239096EO, 5,6-dihydroxy-10-oxidophenazin-10-ium-1-one, 1,10-dioxide, NSC 402910, 1, 5,10-dioxide, SCHEMBL3583519, CHEMBL1987496, NBMOVCYIGUDQJE-UHFFFAOYSA-N, NSC402910, NCI60_003788, 1,6-Phenazinediol, 5,10-dioxide (8CI), 1,6-Phenazinediol, 5,10-dioxide (8CI)(9CI), Q27278504 |
|---|---|
| Topological Polar Surface Area | 91.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10-dioxidophenazine-5,10-diium-1,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C12H8N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NBMOVCYIGUDQJE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.353 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.358 |
| Compound Name | Iodinin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.048 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5848327555555555 |
| Inchi | InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H |
| Smiles | C1=CC2=C(C(=C1)O)[N+](=C3C=CC=C(C3=[N+]2[O-])O)[O-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Siphonantha (Plant) Rel Props:Source_db:cmaup_ingredients