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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108877
CHEMBL108877
Compound Name 2-CHLOROPHENOL
ChEMBL Synonyms 2-Chlorophenol | 2-Chloro-Phenol
Max Phase 0
Trade Names
Molecular Formula C6H5ClO

Additional synonyms for CHEMBL108877 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccccc1Cl
Standard InChI InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
Standard InChI Key ISPYQTSUDJAMAB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL108877

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
128.6 128.0029 2.25 0 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.5 - 2.22 2.19 1 8 0.57

Structural Alerts

There are no structural alerts for CHEMBL108877

Compound Cross References

ChemSpider ChemSpider:ISPYQTSUDJAMAB-UHFFFAOYSA-N
PubChem SID: 144208608 SID: 144210658 SID: 17389669 SID: 85272560
Wikipedia 2-Chlorophenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108877



ACToR 25167-80-0 95-57-8
BindingDB 36301
Brenda 2929 95602 12634
ChEBI 47083
DrugBank DB03110
eMolecules 486473
EPA CompTox Dashboard DTXSID5021544
FDA SRS K9KAV4K6BN
IBM Patent System 50D2D6655A0C31B8F194081E7240FED8
KEGG Ligand C14219
Mcule MCULE-3004295061
MolPort MolPort-001-783-079
Nikkaji J3.566A
NMRShiftDB 10005931
PDBe 2CH
PubChem 7245
PubChem: Thomson Pharma 14867250
SureChEMBL SCHEMBL12279
ZINC ZINC000000402767

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