Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69574
- Core Entity Id
- 132223
- Source Entity Count
- 1
- Preferred Name
- 8N3DW7272P
- Name En
- Pubchem Id
- 2907
- Smiles Canonical
- C1CNP(=O)(OC1)N(CCCl)CCCl
- Molecular Formula
- C14H34Cl4N4O6P2
- Molecular Weight
- 556.0700
- Inchikey
- CMSMOCZEIVJLDB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.6000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 41.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8N3DW7272P
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
8N3DW7272P
Itcmdb Generated
ITX-INGREDIENT-85C0B67A1D5B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
556.070
Molecular Formula
C14H34Cl4N4O6P2
Fda Maximum Daily Dose (Fdamdd)
0.131
Quantitative Estimate Of Drug Likeness（Qed）
0.606