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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160835
CHEMBL160835
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H6BrCl

Additional synonyms for CHEMBL160835 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Br)CCl
Standard InChI InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
Standard InChI Key PUJJZGFFAQHYEX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL160835

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
157.4 155.9341 2.01 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
- - 2.26 2.26 0 5 0.51

Structural Alerts

There are 11 structural alerts for CHEMBL160835. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PUJJZGFFAQHYEX-UHFFFAOYSA-N
Wikipedia 2-Bromo-1-chloropropane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160835



ACToR 3017-95-6 127054-38-0
Brenda 170224
ChemicalBook CB0696199
eMolecules 490281
EPA CompTox Dashboard DTXSID30871003
IBM Patent System BBDAF70EA4A17A52767026E91329E6CA
Mcule MCULE-8021380791
MolPort MolPort-003-928-233
Nikkaji J133.515D
NMRShiftDB 20026267
PubChem 18175
SureChEMBL SCHEMBL379899

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