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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30773
CHEMBL30773
Compound Name CYCLOOCTENE
ChEMBL Synonyms Cyclooctene
Max Phase 0
Trade Names
Molecular Formula C8H14

Additional synonyms for CHEMBL30773 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCC\C=C/CC1
Standard InChI InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
Standard InChI Key URYYVOIYTNXXBN-UPHRSURJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30773

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
110.2 110.1096 2.9 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
- - 3.97 3.97 0 8 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL30773. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:URYYVOIYTNXXBN-UPHRSURJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30773



ACToR 931-89-5 931-87-3 21395-82-4 931-88-4
eMolecules 479856
FDA SRS AE340T3540
IBM Patent System EF45BD0618A6BE3CA844815E4398078D
Mcule MCULE-9874244790
Nikkaji J1.434.920K J1.747G J1.746I J1.748E J1.434.921I
NMRShiftDB 10016474
PubChem 638079
PubChem: Thomson Pharma 15363462
SureChEMBL SCHEMBL27858

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