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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

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

Structural Alerts

There are no structural alerts for CHEMBL135626

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
EPA CompTox Dashboard DTXSID6026377
FDA SRS L99N5N533T
Mcule MCULE-8677953674
MolPort MolPort-001-770-633
Nikkaji J928.742F J2.822.978J 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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