Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70348
- Core Entity Id
- 132997
- Source Entity Count
- 1
- Preferred Name
- Betaine hydrochloride
- Name En
- Pubchem Id
- 11545
- Smiles Canonical
- C[N+](C)(C)CC(=O)O.[Cl-]
- Molecular Formula
- C5H12ClNO2
- Molecular Weight
- 153.0600
- Inchikey
- HOPSCVCBEOCPJZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -3.2188
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Betaine hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Betaine hydrochloride
Itcmdb Generated
ITX-INGREDIENT-ED15FED3481A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
153.060
Molecular Formula
C5H12ClNO2
Fda Maximum Daily Dose (Fdamdd)
0.164
Quantitative Estimate Of Drug Likeness（Qed）
0.509