Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65360
- Core Entity Id
- 128009
- Source Entity Count
- 1
- Preferred Name
- (2-acetoxyethyl)trimethylammonium
- Name En
- Pubchem Id
- 187
- Smiles Canonical
- CC(=O)OCC[N+](C)(C)C
- Molecular Formula
- C7H16NO2+
- Molecular Weight
- 146.1200
- Inchikey
- OIPILFWXSMYKGL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2-acetoxyethyl)trimethylammonium
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2-acetoxyethyl)trimethylammonium
Itcmdb Generated
ITX-INGREDIENT-B929CC94F027
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
146.120
Molecular Formula
C7H16NO2+
Fda Maximum Daily Dose (Fdamdd)
0.411
Quantitative Estimate Of Drug Likeness（Qed）
0.421