ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

There are no structural alerts for CHEMBL383808

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 3.22 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

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
eMolecules 508472
FDA SRS E7SK1Y1311
Human Metabolome Database HMDB32860
IBM Patent System C8E9EF80F2BD03598EC68F0020855DCB
KEGG Ligand C14082
Mcule MCULE-4027275839
MolPort MolPort-003-932-994
Nikkaji J3.552A
NMRShiftDB 20031907
PubChem 7002
PubChem: Thomson Pharma 15170796
SureChEMBL SCHEMBL3075
ZINC ZINC01666852

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