Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66597
- Core Entity Id
- 129246
- Source Entity Count
- 1
- Preferred Name
- 1-Butyl-3-methylimidazolium tetrafluoroborate
- Name En
- Pubchem Id
- 2734178
- Smiles Canonical
- [B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C
- Molecular Formula
- C8H15BF4N2
- Molecular Weight
- 226.1300
- Inchikey
- LSBXQLQATZTAPE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.4127
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 8.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Butyl-3-methylimidazolium tetrafluoroborate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-Butyl-3-methylimidazolium tetrafluoroborate
Itcmdb Generated
ITX-INGREDIENT-74F373B92A56
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
226.130
Molecular Formula
C8H15BF4N2
Fda Maximum Daily Dose (Fdamdd)
0.053
Quantitative Estimate Of Drug Likeness（Qed）
0.555