Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68001
- Core Entity Id
- 130650
- Source Entity Count
- 1
- Preferred Name
- 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine
- Name En
- Pubchem Id
- 118364
- Smiles Canonical
- C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl
- Molecular Formula
- C14H12ClN
- Molecular Weight
- 229.0700
- Inchikey
- MHUXTOYYIDFXRF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-4,7-9,16H,5-6H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.4000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 12.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine
Itcmdb Generated
ITX-INGREDIENT-B1600972412A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
229.070
Molecular Formula
C14H12ClN
Fda Maximum Daily Dose (Fdamdd)
0.786
Quantitative Estimate Of Drug Likeness（Qed）
0.715