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
- 73886
- Core Entity Id
- 136535
- Source Entity Count
- 1
- Preferred Name
- n-benzylacetamide
- Name En
- Pubchem Id
- 11500
- Smiles Canonical
- CC(=O)NCC1=CC=CC=C1
- Molecular Formula
- C9H11NO
- Molecular Weight
- 149.0800
- Inchikey
- UZJLYRRDVFWSGA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 29.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
n-benzylacetamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
n-benzylacetamide
Itcmdb Generated
ITX-INGREDIENT-52F87368A963
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
149.080
Molecular Formula
C9H11NO
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.675