Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72068
- Core Entity Id
- 134717
- Source Entity Count
- 1
- Preferred Name
- FLUOROBENZENE
- Name En
- Pubchem Id
- 10008
- Smiles Canonical
- C1=CC=C(C=C1)F
- Molecular Formula
- C6H5F
- Molecular Weight
- 96.0400
- Inchikey
- PYLWMHQQBFSUBP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
FLUOROBENZENE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
FLUOROBENZENE
Itcmdb Generated
ITX-INGREDIENT-D4FF4E33CFEB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
96.040
Molecular Formula
C6H5F
Fda Maximum Daily Dose (Fdamdd)
0.063
Quantitative Estimate Of Drug Likeness（Qed）
0.462