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
- 67734
- Core Entity Id
- 130383
- Source Entity Count
- 1
- Preferred Name
- 3-(acetylamino)-4-hydroxybenzoic acid
- Name En
- Pubchem Id
- 53985849
- Smiles Canonical
- CC(=O)NC1=C(C=CC(=C1)C(=O)O)O
- Molecular Formula
- C9H9NO4
- Molecular Weight
- 195.0500
- Inchikey
- BXBFVCYLJXGOGI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H9NO4/c1-5(11)10-7-4-6(9(13)14)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H,13,14)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.7000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 86.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(acetylamino)-4-hydroxybenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-(acetylamino)-4-hydroxybenzoic acid
Itcmdb Generated
ITX-INGREDIENT-E6C5A8FAB74E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
195.050
Molecular Formula
C9H9NO4
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.615