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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16293
CHEMBL16293
Compound Name NAPHTHALENE
ChEMBL Synonyms Naphthalene
Max Phase 0
Trade Names
Molecular Formula C10H8

Additional synonyms for CHEMBL16293 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2ccccc2c1
Standard InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
Standard InChI Key UFWIBTONFRDIAS-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL16293

Alternate Forms of Compound in ChEMBL


CHEMBL16293

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
128.2 128.0626 2.74 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
- - 3.36 3.36 2 10 0.51

Compound Cross References

ChemSpider ChemSpider:UFWIBTONFRDIAS-UHFFFAOYSA-N
PubChem SID: 144204574 SID: 144209202 SID: 144210328 SID: 17389811 SID: 26752807 SID: 49816690
Wikipedia Naphthalene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16293



ACToR 91-20-3 68412-25-9 72931-45-4
Atlas Naphthalene
BindingDB 50159249
ChEBI 16482
eMolecules 26755049 482250
EPA CompTox Dashboard DTXSID8020913
FDA SRS 2166IN72UN
Human Metabolome Database HMDB29751
IBM Patent System 73A75AD684E3CC82C2541D40DDDB2F6F
KEGG Ligand C00829
Mcule MCULE-8231589350
MolPort MolPort-001-738-535
Nikkaji J2.839H
NMRShiftDB 10169
PDBe NPY
PubChem 931
PubChem: Thomson Pharma 15218960
Recon npthl
SureChEMBL SCHEMBL8953
ZINC ZINC00967522

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