Metabolite bromide

Name
bromide
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
952902IX06
CAS number
Not Available
Weight
Average: 79.904
Monoisotopic: 78.918337647
Chemical Formula
Br
InChI Key
CPELXLSAUQHCOX-UHFFFAOYSA-M
InChI
InChI=1S/BrH/h1H/p-1
IUPAC Name
bromide
SMILES
[Br-]
Reactions
Spectra
SpectrumSpectrum TypeSplash Key
Mass Spectrum (Electron Ionization)MSsplash10-03di-1900000000-7a2f3d28680a6f34d0e5
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-109.26179
predicted
DeepCCS 1.0 (2019)
[M+H]+110.985504
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.91403
predicted
DeepCCS 1.0 (2019)
Human Metabolome Database
HMDB0002500
KEGG Compound
C01324
ChemSpider
254
BindingDB
26980
ChEBI
15858
ChEMBL
CHEMBL11685
PDBe Ligand
BR
Wikipedia
Bromide
Predicted Properties
PropertyValueSource
logP0.8Chemaxon
pKa (Strongest Acidic)-8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity8.6 m3·mol-1Chemaxon
Polarizability3.36 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon