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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1971153
CHEMBL1971153
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19O2P

Additional synonyms for CHEMBL1971153 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1COC(C)(C)P(=O)(C1)c2ccccc2
Standard InChI InChI=1S/C13H19O2P/c1-11-9-15-13(2,3)16(14,10-11)12-7-5-4-6- ...
Download InChI
Standard InChI Key HTKHJPFJIDGHCJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1971153

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
238.3 238.1123 3.08 1 26.3 -


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
- - 4.44 4.44 1 16 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL1971153. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HTKHJPFJIDGHCJ-UHFFFAOYSA-N
PubChem SID: 487623

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1971153



PubChem 357434

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