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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL451810
CHEMBL451810
Compound Name
ChEMBL Synonyms 2-Bromopropane
Max Phase 0
Trade Names
Molecular Formula C3H7Br

Additional synonyms for CHEMBL451810 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)Br
Standard InChI InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
Standard InChI Key NAMYKGVDVNBCFQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL451810

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
123 121.9731 1.72 0 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
- - 2.16 2.16 0 4 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL451810. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NAMYKGVDVNBCFQ-UHFFFAOYSA-N
PubChem SID: 144207554 SID: 17389346
Wikipedia 2-Bromopropane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL451810



ACToR 75-26-3
eMolecules 490944
EPA CompTox Dashboard DTXSID7030197
FDA SRS R651XOV97Z
Mcule MCULE-4068304617
MolPort MolPort-001-779-707
Nikkaji J1.447H
NMRShiftDB 10005622
PubChem 6358
PubChem: Thomson Pharma 14842884
SureChEMBL SCHEMBL10251
ZINC ZINC02041293

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