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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970087
CHEMBL1970087
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15ClO2

Additional synonyms for CHEMBL1970087 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccc1\C=C/C2(OCCO2)c3ccccc3
Standard InChI InChI=1S/C17H15ClO2/c18-16-9-5-4-6-14(16)10-11-17(19-12-13-2 ...
Download InChI
Standard InChI Key GWTDYTWDOROIAI-KHPPLWFESA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970087

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
286.8 286.0761 4.25 3 18.46 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.14 4.14 2 20 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL1970087. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GWTDYTWDOROIAI-KHPPLWFESA-N
PubChem SID: 526824

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970087



PubChem 54611353
ZINC ZINC000031900439

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