Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71956
- Core Entity Id
- 134605
- Source Entity Count
- 1
- Preferred Name
- Ethyl phenylacetate
- Name En
- Pubchem Id
- 7590
- Smiles Canonical
- CCOC(=O)CC1=CC=CC=C1
- Molecular Formula
- C10H12O2
- Molecular Weight
- 164.0800
- Inchikey
- DULCUDSUACXJJC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ethyl phenylacetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Ethyl phenylacetate
Itcmdb Generated
ITX-INGREDIENT-24E54A0C3E01
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
164.080
Molecular Formula
C10H12O2
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.637