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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1575635
CHEMBL1575635
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H12

Additional synonyms for CHEMBL1575635 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCc2ccccc2C1
Standard InChI InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8 ...
Download InChI
Standard InChI Key CXWXQJXEFPUFDZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1575635

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
132.2 132.0939 2.57 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
- - 3.73 3.73 1 10 0.51

Structural Alerts

There are no structural alerts for CHEMBL1575635

Compound Cross References

ChemSpider ChemSpider:CXWXQJXEFPUFDZ-UHFFFAOYSA-N
PubChem SID: 144208991 SID: 144213642 SID: 17388696

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1575635



ACToR 119-64-2 68412-24-8
Brenda 175032
ChEBI 35008
ChemicalBook CB6146030
eMolecules 474528
EPA CompTox Dashboard DTXSID1026118
FDA SRS FT6XMI58YQ
IBM Patent System 9E954EC7015FD39865B69D9364B9C323
KEGG Ligand C14114
Mcule MCULE-8327072794
MolPort MolPort-003-925-014
Nikkaji J2.002H
NMRShiftDB 10016526
PubChem 8404
PubChem: Thomson Pharma 15297259
SureChEMBL SCHEMBL8355
ZINC ZINC000008437660

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