Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67637
- Core Entity Id
- 130286
- Source Entity Count
- 1
- Preferred Name
- 2-oxo-1,2-dihydroquinoline-4-carboxylic acid
- Name En
- Pubchem Id
- 85076
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)O
- Molecular Formula
- C10H7NO3
- Molecular Weight
- 189.0400
- Inchikey
- MFSHNFBQNVGXJX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.6000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 66.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-oxo-1,2-dihydroquinoline-4-carboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-oxo-1,2-dihydroquinoline-4-carboxylic acid
Itcmdb Generated
ITX-INGREDIENT-13CAC3908283
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
189.040
Molecular Formula
C10H7NO3
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.708