Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65692
- Core Entity Id
- 128341
- Source Entity Count
- 1
- Preferred Name
- (E)-2-(2-oxoindolin-3-ylidene)acetonitrile
- Name En
- Pubchem Id
- 11116472
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CC#N)C(=O)N2
- Molecular Formula
- C10H6N2O
- Molecular Weight
- 170.0500
- Inchikey
- YLSUPMWMHFXGHW-VMPITWQZSA-N
- Inchi
- InChI=1S/C10H6N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)/b8-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.8000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 52.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-2-(2-oxoindolin-3-ylidene)acetonitrile
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(E)-2-(2-oxoindolin-3-ylidene)acetonitrile
Itcmdb Generated
ITX-INGREDIENT-39C9E3C74CC8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
170.050
Molecular Formula
C10H6N2O
Fda Maximum Daily Dose (Fdamdd)
0.621
Quantitative Estimate Of Drug Likeness（Qed）
0.474