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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232306
CHEMBL1232306
Compound Name DEUTERIUM OXIDE
ChEMBL Synonyms DEUTERIUM OXIDE
Max Phase 0
Trade Names
Molecular Formula D2O

Additional synonyms for CHEMBL1232306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [2H]O[2H]
Standard InChI InChI=1S/H2O/h1H2/i/hD2
Standard InChI Key XLYOFNOQVPJJNP-ZSJDYOACSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1232306

Molecule Features

CHEMBL1232306 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 BASE


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
8 9.5 .04 -1.97 0 1 0.39

Structural Alerts

There are no structural alerts for CHEMBL1232306

Compound Cross References

ChemSpider ChemSpider:XLYOFNOQVPJJNP-ZSJDYOACSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232306



ACToR 156428-50-1 7789-20-0
ChEBI 41981
eMolecules 483017
EPA CompTox Dashboard DTXSID4051243
FDA SRS J65BV539M3
Nikkaji J95.184F
PDBe DOD
PubChem 24602
PubChem: Thomson Pharma 15218568
SureChEMBL SCHEMBL57022

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