Metabolite Ammonia

Name
Ammonia
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
5138Q19F1X
CAS number
Not Available
Weight
Average: 17.0305
Monoisotopic: 17.026549101
Chemical Formula
H3N
InChI Key
QGZKDVFQNNGYKY-UHFFFAOYSA-N
InChI
InChI=1S/H3N/h1H3
IUPAC Name
ammonia
SMILES
N
Reactions
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-014i-9000000000-92ab2d6b6fd9cfb23ac7
Mass Spectrum (Electron Ionization)MSsplash10-014i-9000000000-e0a6e51ead158714099b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-4d3180e05bafd704562f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-e1d016c3d6effe2294d2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-e1d016c3d6effe2294d2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-4d3180e05bafd704562f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-4d3180e05bafd704562f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9000000000-e1d016c3d6effe2294d2
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Human Metabolome Database
HMDB0000051
KEGG Compound
C00014
ChemSpider
217
ChEBI
16134
ChEMBL
CHEMBL1160819
PharmGKB
PA166131585
PDBe Ligand
NH3
Wikipedia
Ammonia
Predicted Properties
PropertyValueSource
logP-0.98Chemaxon
pKa (Strongest Basic)8.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area13.59 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity15.51 m3·mol-1Chemaxon
Polarizability1.99 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon