Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19130
- Core Entity Id
- 24442
- Source Entity Count
- 1
- Preferred Name
- Fb2
- Name En
- Pubchem Id
- 24186388
- Smiles Canonical
- C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-]
- Molecular Formula
- C12H12BrN2+
- Molecular Weight
- 264.1460
- Inchikey
- JXEXEPZXXFNEHA-UHFFFAOYSA-M
- Inchi
- InChI=1S/C12H12N2.BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;/h1-8H,9-10H2;1H/q+2;/p-1
- Isomeric Smiles
- C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-]
- Cas Id
- Ob Score
- Mol Logp
- -2.0538
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fb2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fb2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
fb2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2'-bipyridinium dibromide
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2'-bipyridinium dibromide
Role
alias
Source
HERB_v2
Preferred
No
Name
Aquacide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aquacide
Role
alias
Source
HERB_v2
Preferred
No
Name
Deiquat
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deiquat
Role
alias
Source
HERB_v2
Preferred
No
Name
Diquat bromide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diquat bromide
Role
alias
Source
HERB_v2
Preferred
No
Name
Preeglone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Preeglone
Role
alias
Source
HERB_v2
Preferred
No
Name
Reglon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reglon
Role
alias
Source
HERB_v2
Preferred
No
Name
Reglone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reglone
Role
alias
Source
HERB_v2
Preferred
No
Name
Reglox
Role
alias
Source
HERB_v2
Preferred
No
Name
Reglox
Role
alias
Source
itcmdb_public
Preferred
No
Name
Weedtrine-D
Role
alias
Source
HERB_v2
Preferred
No
Name
Weedtrine-D
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2'-bipyridinium dibromideAquacideDeiquatDiquat bromidePreegloneReglonRegloneRegloxWeedtrine-D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026410
Npass
NPC277395
Tcmid
7742
Pub Chem
24186388
Tcmbank
TCMBANKIN040281
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H12N2.BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;/h1-8H,9-10H2;1H/q+2;/p-1
Mol Wt
264.146
Smiles
C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-]
Mol Log P
-2.053799999999997
In Ch Ikey
JXEXEPZXXFNEHA-UHFFFAOYSA-M
Mol2 Path
/TCM_database/2007_3d_all/07743.mol2
Reference
2268
Num Hdonors
0
Drug Likeness
0.484
Num Hacceptors
0
Isomeric Smiles
C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-]
Canonical Smiles
C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-]
Herb Alias Names
Diquat bromideDiquat (bromide)AquacideDeiquatPreegloneRegloneReglonRegloxWeedtrine-D1,2'-bipyridinium dibromide
Molecular Weight
264.14 g/mol
Molecular Formula
C12H12BrN2+
Molecular Formula
C12H12BrN2+
Num Rotatable Bonds
0