Alternatived Products of [ 126-58-9 ]
Product Details of [ 126-58-9 ]
CAS No. : | 126-58-9 |
MDL No. : | MFCD00004691 |
Formula : |
C10H22O7
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | TXBCBTDQIULDIA-UHFFFAOYSA-N |
M.W : |
254.28
|
Pubchem ID : | 31352 |
Synonyms : |
|
Calculated chemistry of [ 126-58-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
10 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
6.0 |
Molar Refractivity : |
57.72 |
TPSA : |
130.61 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-10.55 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.87 |
Log Po/w (XLOGP3) : |
-3.8 |
Log Po/w (WLOGP) : |
-3.07 |
Log Po/w (MLOGP) : |
-2.26 |
Log Po/w (SILICOS-IT) : |
-0.71 |
Consensus Log Po/w : |
-1.79 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
1.64 |
Solubility : |
11000.0 mg/ml ; 43.4 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
1.65 |
Solubility : |
11300.0 mg/ml ; 44.6 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.49 |
Solubility : |
784.0 mg/ml ; 3.08 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.32 |