Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 8Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72440
- Core Entity Id
- 135089
- Source Entity Count
- 1
- Preferred Name
- haloperidol
- Name En
- Pubchem Id
- 3559
- Smiles Canonical
- C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
- Molecular Formula
- C21H23ClFNO2
- Molecular Weight
- 375.1400
- Inchikey
- LNEPOXFFQSENCJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
haloperidol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
haloperidol
Itcmdb Generated
ITX-INGREDIENT-B0CD91C8425A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
375.140
Molecular Formula
C21H23ClFNO2
Fda Maximum Daily Dose (Fdamdd)
0.793
Quantitative Estimate Of Drug Likeness（Qed）
0.759