ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3182900
CHEMBL3182900
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H15KO2

Additional synonyms for CHEMBL3182900 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].CCCCC(CC)C(=O)[O-]
Standard InChI InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H ...
Download InChI
Standard InChI Key ZUFQCVZBBNZMKD-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3182900

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
144.2 144.115 2.29 5 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.82 - 2.58 .03 0 10 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL3182900. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZUFQCVZBBNZMKD-UHFFFAOYSA-M
PubChem SID: 144213420

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3182900



ACToR 3164-85-0
ChemicalBook CB0270867
eMolecules 2729049
EPA CompTox Dashboard DTXSID4027525
MolPort MolPort-005-935-455
Nikkaji J208.474K
PubChem 23669619
PubChem: Thomson Pharma 14772777
SureChEMBL SCHEMBL26222

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