HYDRIODIC ACID
General Information
| Mainterm | HYDRIODIC ACID |
| CAS Reg.No.(or other ID) | 10034-85-2 |
| Regnum |
178.1010 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 24841 |
| IUPAC Name | iodane |
| InChI | InChI=1S/HI/h1H |
| InChI Key | XMBWDFGMSWQBCA-UHFFFAOYSA-N |
| Canonical SMILES | I |
| Molecular Formula | HI |
| Wikipedia | hydrogen iodide |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 127.912 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 0.0 |
| Monoisotopic Mass | 127.912 |
| Exact Mass | 127.912 |
| XLogP3 | None |
| XLogP3-AA | 0.9 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9751 |
| Human Intestinal Absorption | HIA+ | 0.9744 |
| Caco-2 Permeability | Caco2+ | 0.7241 |
| P-glycoprotein Substrate | Non-substrate | 0.8975 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9772 |
| Non-inhibitor | 0.9859 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9203 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5448 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8261 |
| CYP450 2D6 Substrate | Non-substrate | 0.7730 |
| CYP450 3A4 Substrate | Non-substrate | 0.7992 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7075 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8930 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9469 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9148 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9497 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8908 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9609 |
| Non-inhibitor | 0.9715 | |
| AMES Toxicity | Non AMES toxic | 0.6195 |
| Carcinogens | Carcinogens | 0.7126 |
| Fish Toxicity | Low FHMT | 0.5549 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.7847 |
| Honey Bee Toxicity | High HBT | 0.8366 |
| Biodegradation | Not ready biodegradable | 0.8303 |
| Acute Oral Toxicity | II | 0.7449 |
| Carcinogenicity (Three-class) | Non-required | 0.5497 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.9124 | LogS |
| Caco-2 Permeability | 1.6039 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.9992 | LD50, mol/kg |
| Fish Toxicity | 0.4048 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.4991 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Homogeneous non-metal compounds |
| Class | Halogen organides |
| Subclass | Halogen hydrides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogen hydrides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Halogen hydride - Inorganic hydride |
| Description | This compound belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen. |
From ClassyFire