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ChEMBL Statistics
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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

Structural Alerts

There are no structural alerts for CHEMBL195338

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 3.4 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

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
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 ZINC01693310

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