IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Triethylamine hydroiodide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010928
Phytochemical name:
Triethylamine hydroiodide
Synonymous chemical names:
triethylamine hydroiodide
External chemical identifiers:
CID:10889681
,
SureChEMBL:SCHEMBL329094
Chemical structure information
SMILES:
CCN(CC)CC.I
InChI:
InChI=1S/C6H15N.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKey:
XEWVCDMEDQYCHX-UHFFFAOYSA-N
DeepSMILES:
CCNCC))CC.I
Functional groups:
CN(C)C, I
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Amines
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
-0.811
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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