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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL383808
CHEMBL383808
Compound Name
ChEMBL Synonyms 1-Methylnaphthalene | 1-Methyl-Naphthalene
Max Phase 0
Trade Names
Molecular Formula C11H10

Additional synonyms for CHEMBL383808 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc2ccccc12
Standard InChI InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
Standard InChI Key QPUYECUOLPXSFR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL383808

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
142.2 142.0783 3.15 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
- - 3.9 3.9 2 11 0.53

Structural Alerts

There are no structural alerts for CHEMBL383808

Compound Cross References

ChemSpider ChemSpider:QPUYECUOLPXSFR-UHFFFAOYSA-N
PubChem SID: 144208966 SID: 144210657 SID: 17389821
Wikipedia 1-Methylnaphthalene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL383808



ACToR 1321-94-4 90-12-0 78900-94-4
BindingDB 50159279
ChEBI 50717
ChemicalBook CB4127653
eMolecules 508472
EPA CompTox Dashboard DTXSID9020877
FDA SRS E7SK1Y1311
Human Metabolome Database HMDB0032860
IBM Patent System C8E9EF80F2BD03598EC68F0020855DCB
KEGG Ligand C14082
Mcule MCULE-4027275839
Metabolights MTBLC50717
MolPort MolPort-003-932-994
Nikkaji J3.552A
NMRShiftDB 20031907
PubChem 7002
PubChem: Thomson Pharma 15170796
SureChEMBL SCHEMBL3075
ZINC ZINC000001666852

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