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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1230222
CHEMBL1230222
Compound Name CHLOROCRESOL
ChEMBL Synonyms Chlorocresol
Max Phase 0
Trade Names
Molecular Formula C7H7ClO

Additional synonyms for CHEMBL1230222 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(O)ccc1Cl
Standard InChI InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
Standard InChI Key CFKMVGJGLGKFKI-UHFFFAOYSA-N

Molecule Features

CHEMBL1230222 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL1230222

Alternate Forms of Compound in ChEMBL


CHEMBL1230222

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
142.6 142.0185 2.74 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
9.63 - 2.89 2.89 1 9 0.59

Compound Cross References

ChemSpider ChemSpider:CFKMVGJGLGKFKI-UHFFFAOYSA-N
PubChem SID: 144204667 SID: 144208491 SID: 144210374 SID: 170466134 SID: 17389648 SID: 26747340

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1230222



ACToR 59-50-7
ChEBI 34395
eMolecules 491290
FDA SRS 36W53O7109
IBM Patent System 574B4464A45E385F4043009FD0D3D671
KEGG Ligand C14331
Mcule MCULE-7719563630
MolPort MolPort-001-770-144
Nikkaji J4.604C
NMRShiftDB 20025923
PDBe 43M
PubChem 1732
PubChem: Thomson Pharma 15090988
SureChEMBL SCHEMBL12344
ZINC ZINC00001124

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