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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160966
CHEMBL160966
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H9Cl

Additional synonyms for CHEMBL160966 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCl
Standard InChI InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
Standard InChI Key QTBFPMKWQKYFLR-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL160966. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL160966

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
92.6 92.0393 2.04 1 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.49 2.49 0 5 0.43

Compound Cross References

ChemSpider ChemSpider:QTBFPMKWQKYFLR-UHFFFAOYSA-N
Wikipedia Isobutyl_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160966



ACToR 513-36-0
eMolecules 485766
FDA SRS 95E08D17M7
IBM Patent System D04C6BAF6E064CBE828DEB4932CD1B92
Mcule MCULE-6524976746
MolPort MolPort-001-783-741
Nikkaji J2.619K
NMRShiftDB 10928
PubChem 10554
PubChem: Thomson Pharma 16471809
SureChEMBL SCHEMBL23367
ZINC ZINC02036754

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