Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67405
- Core Entity Id
- 130054
- Source Entity Count
- 1
- Preferred Name
- 2-carboxyindole
- Name En
- Pubchem Id
- 72899
- Smiles Canonical
- C1=CC=C2C(=C1)C=C(N2)C(=O)O
- Molecular Formula
- C9H7NO2
- Molecular Weight
- 161.0500
- Inchikey
- HCUARRIEZVDMPT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 53.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-carboxyindole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-carboxyindole
Itcmdb Generated
ITX-INGREDIENT-0273972882DF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
161.050
Molecular Formula
C9H7NO2
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.670