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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1538076
CHEMBL1538076
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H6O

Additional synonyms for CHEMBL1538076 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1COC1
Standard InChI InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
Standard InChI Key AHHWIHXENZJRFG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1538076

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
58.1 58.0419 0.41 0 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.05 -.05 0 4 0.39

Structural Alerts

There are no structural alerts for CHEMBL1538076

Compound Cross References

ChemSpider ChemSpider:AHHWIHXENZJRFG-UHFFFAOYSA-N
PubChem SID: 144207937 SID: 17389459

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1538076



ACToR 503-30-0
ChEBI 30965
eMolecules 532842
EPA CompTox Dashboard DTXSID8025969
FDA SRS I279Q16FU6
Mcule MCULE-4105779148
MolPort MolPort-001-781-604
Nikkaji J6.210C
NMRShiftDB 10016041
PubChem 10423
PubChem: Thomson Pharma 14793621
SureChEMBL SCHEMBL16529231 SCHEMBL27771
ZINC ZINC000017263516

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