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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186148
CHEMBL3186148
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H7ClO2

Additional synonyms for CHEMBL3186148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)CCl
Standard InChI InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
Standard InChI Key VEUUMBGHMNQHGO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3186148

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
122.6 122.0135 0.79 2 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
- - 1.03 1.03 0 7 0.4

Structural Alerts

There are 14 structural alerts for CHEMBL3186148. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VEUUMBGHMNQHGO-UHFFFAOYSA-N
PubChem SID: 144208251

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186148



ACToR 105-39-5
Brenda 45518
ChemicalBook CB9852655
eMolecules 490976
EPA CompTox Dashboard DTXSID4026715
FDA SRS 6H07TEH4TF
IBM Patent System D137CA11EAFC7FF5BF6D0D28D61B31D7
Mcule MCULE-2200524105
MolPort MolPort-001-781-436
Nikkaji J55.313A
NMRShiftDB 10016837
PubChem 7751
PubChem: Thomson Pharma 15165127
SureChEMBL SCHEMBL59424
ZINC ZINC000001648258

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