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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106489
CHEMBL2106489
Compound Name WATER O 15
ChEMBL Synonyms WATER O 15 | 15O
Max Phase 0
Trade Names
Molecular Formula H2O

Additional synonyms for CHEMBL2106489 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [15OH2]
Standard InChI InChI=1S/H2O/h1H2/i1-1
Standard InChI Key XLYOFNOQVPJJNP-BJUDXGSMSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106489

Molecule Features

CHEMBL2106489 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
18 18.0106 -0.21 0 31.5 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.38 -1.38 0 1 0.39

Structural Alerts

There are no structural alerts for CHEMBL2106489

Compound Cross References

ChemSpider ChemSpider:XLYOFNOQVPJJNP-BJUDXGSMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106489



ACToR 24286-21-3 13982-43-9
FDA SRS 63M8RYN44N
PubChem 10129877
PubChem: Thomson Pharma 15119547 15242794

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XLYOFNOQVPJJNP-BJUDXGSMSA-N spacer
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