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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

Structural Alerts

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

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

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
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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