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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL76101
CHEMBL76101
Compound Name POLYVINYL ALCOHOL
ChEMBL Synonyms E1203
Max Phase 0
Trade Names
Molecular Formula C2H4O

Additional synonyms for CHEMBL76101 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC=C
Standard InChI InChI=1S/C2H4O/c1-2-3/h2-3H,1H2
Standard InChI Key IMROMDMJAWUWLK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL76101

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
44.1 44.0262 0.1 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
10.5 - .64 .64 0 3 0.38

Structural Alerts

There are 4 structural alerts for CHEMBL76101. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IMROMDMJAWUWLK-UHFFFAOYSA-N
Wikipedia Polyvinyl_alcohol Vinyl_alcohol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL76101



ACToR 9002-89-5 557-75-5
Brenda 5770 3410 26045
eMolecules 883484
EPA CompTox Dashboard DTXSID8051467
IBM Patent System F068E621770308AF41C45CE4F1BDC4B2
Nikkaji J49.638C
PubChem 11199
PubChem: Thomson Pharma 15146238
SureChEMBL SCHEMBL14913

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