Synonyms: | |
Status: | Approved (2011) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 059QF0KO0R |
Parent Compound: | WATER |
InChI Key | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | H2O | |
Molecular Weight | 18.02 | |
AlogP | -0.82 | |
Hydrogen Bond Acceptor | 0.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 0.0 | |
Polar Surface Area | 31.5 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 1.0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
---|---|---|---|---|---|
Cardiovascular Diseases | 3 | D002318 | ClinicalTrials | ||
Tooth Diseases | 3 | D014076 | ClinicalTrials | ||
Periodontitis | 3 | D010518 | ClinicalTrials | ||
Tension-Type Headache | 3 | D018781 | ClinicalTrials | ||
Dental Caries | 3 | D003731 | ClinicalTrials | ||
Pain | 3 | D010146 | ClinicalTrials | ||
Hemorrhoids | 3 | D006484 | ClinicalTrials | ||
Ileus | 2 | D045823 | ClinicalTrials | ||
Tinea Pedis | 2 | D014008 | ClinicalTrials | ||
Amyotrophic Lateral Sclerosis | 2 | D000690 | ClinicalTrials | ||
Acne Vulgaris | 2 | D000152 | ClinicalTrials | ||
Hidradenitis Suppurativa | 2 | D017497 | ClinicalTrials | ||
Chemical and Drug Induced Liver Injury | 2 | D056486 | ClinicalTrials | ||
Burns | 2 | D002056 | ClinicalTrials | ||
Intervertebral Disc Degeneration | 2 | D055959 | ClinicalTrials | ||
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials | ||
Gingivitis | 1 | D005891 | ClinicalTrials | ||
Anxiety | 1 | D001007 | ClinicalTrials | ||
Alcohol Drinking | 1 | D000428 | ClinicalTrials | ||
Celiac Disease | 1 | D002446 | ClinicalTrials | ||
Arthritis, Rheumatoid | 1 | D001172 | ClinicalTrials | ||
Otitis Media with Effusion | 0 | D010034 | ClinicalTrials |
Resources | Reference |
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CAS NUMBER | 7732-18-5 |
ChEBI | 15377 |
ChEMBL | CHEMBL1098659 |
DrugBank | DB09145 |
EPA CompTox | DTXSID6026296 |
FDA SRS | 059QF0KO0R |
Human Metabolome Database | HMDB0002111 |
KEGG | C00001 |
PDB | O |
PubChem | 962 |
SureChEMBL | SCHEMBL624 |