Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 30th, 2005 |
36 |
No
|
Other Names:
297-83-6; C11363; Sulfobromophthalein
297-83-6; D08548; Sulfobromophthalein; Sulphobromophthalein (BAN)
4,5,6,7-Tetrabromo-3',3''-disulfophenolphthalein disodium salt; 4,5,6,7-Tetrabromo-3',3'-disulfophenolphthalein disodium salt; 5,5'-(4,5,6,7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(2-hydroxybenzenesulfonic acid) disodium salt; BSF; BSF simes; BSP
4,5,6,7-Tetrabromo-3',3''-disulfophenolphthalein disodium salt; Bromosulfalein; Bromosulfophthalein; Bromosulphthalein; Bromsulfalein; Disodium bromosulfophthalein; Disodium phenoltetrabromophthalein sulfonate; Sodium bromosulfalein; Sodium bromosulfophth
71-67-0; D02210; Sulfobromophthalein sodium (JP16)
bromosulfophthalein sodium
disodium 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
Sulfobromophthalein Sodium
Sulfobromophthalein Sodium (JAN
USP); Sulphobromophthalein (BAN)
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
1.20 |
-16.32 |
-102.47 |
2 |
10 |
-2 |
181 |
792.024 |
4 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Molecular_Solubility |
7.762 |
Bitter DB |
| UniProt Database Links |
SO1B2_MOUSE; SO1B2_RAT |
ChEBI |
No pre-computed analogs available. Try a structural similarity search.
