ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL195338
CHEMBL195338
Compound Name
ChEMBL Synonyms 1-Chloronaphthalene | 1-Chloro-Naphthalene
Max Phase 0
Trade Names
Molecular Formula C10H7Cl

Additional synonyms for CHEMBL195338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc2ccccc12
Standard InChI InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Standard InChI Key JTPNRXUCIXHOKM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL195338

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
162.6 162.0236 3.49 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
- - 4.03 4.03 2 11 0.56

Structural Alerts

There are no structural alerts for CHEMBL195338

Compound Cross References

ChemSpider ChemSpider:JTPNRXUCIXHOKM-UHFFFAOYSA-N
PubChem SID: 144208021 SID: 17389447
Wikipedia 1-Chloronaphthalene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL195338



ACToR 25586-43-0 90-13-1
BindingDB 50159260
Brenda 49941
ChemicalBook CB1735332
eMolecules 486469
EPA CompTox Dashboard DTXSID2024791
FDA SRS K4OIF2EC56
IBM Patent System B575813D44499A638343C08DAF46FE8D
Mcule MCULE-1375856711
MolPort MolPort-001-768-936
Nikkaji J3.553J
NMRShiftDB 10016003
PDBe 15O
PubChem 7003
PubChem: Thomson Pharma 15120331
SureChEMBL SCHEMBL19854
ZINC ZINC000001693310

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