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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL135626
CHEMBL135626
Compound Name ETHANE
ChEMBL Synonyms Ethane | Venoterpine
Max Phase 0
Trade Names
Molecular Formula C2H6

Additional synonyms for CHEMBL135626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC
Standard InChI InChI=1S/C2H6/c1-2/h1-2H3
Standard InChI Key OTMSDBZUPAUEDD-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL135626

Alternate Forms of Compound in ChEMBL


CHEMBL135626

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
30.1 30.047 1.28 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.73 1.73 0 2 0.38

Compound Cross References

ChemSpider ChemSpider:OTMSDBZUPAUEDD-UHFFFAOYSA-N
Wikipedia Ethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL135626



ACToR 68475-57-0 74-84-0 68606-25-7
ChEBI 42266
eMolecules 474442
FDA SRS L99N5N533T
Mcule MCULE-8677953674
MolPort MolPort-001-770-633
Nikkaji J928.742F J1.938K
NMRShiftDB 20028913
PubChem 6324
PubChem: Thomson Pharma 15170300
SureChEMBL SCHEMBL45

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