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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348039
CHEMBL348039
Compound Name
ChEMBL Synonyms 1-Chloro-Pentane | 1-Chloropentane
Max Phase 0
Trade Names
Molecular Formula C5H11Cl

Additional synonyms for CHEMBL348039 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCl
Standard InChI InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
Standard InChI Key SQCZQTSHSZLZIQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL348039

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
106.6 106.0549 2.63 3 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
- - 3.15 3.15 0 6 0.38

Structural Alerts

There are 9 structural alerts for CHEMBL348039. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SQCZQTSHSZLZIQ-UHFFFAOYSA-N
Wikipedia 1-Chloropentane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348039



ACToR 543-59-9 29656-63-1
Brenda 95603 108769 15444
eMolecules 490740
FDA SRS 0EG9MSD3NK
Mcule MCULE-4412759460
MolPort MolPort-001-783-736
Nikkaji J2.646H
NMRShiftDB 10024175
PDBe 7CL
PubChem 10977
PubChem: Thomson Pharma 15194300
SureChEMBL SCHEMBL3164
ZINC ZINC000001586303

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