Alternatived Products of [ 71119-22-7 ]
Product Details of [ 71119-22-7 ]
CAS No. : | 71119-22-7 |
MDL No. : | MFCD00064350 |
Formula : |
C7H14NNaO4S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | MWEMXEWFLIDTSJ-UHFFFAOYSA-M |
M.W : |
231.25
|
Pubchem ID : | 3859613 |
Synonyms : |
|
Chemical Name : | Sodium 3-morpholinopropane-1-sulfonate |
Calculated chemistry of [ 71119-22-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
14 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
50.23 |
TPSA : |
78.05 ?2 |
Pharmacokinetics
GI absorption : |
High |
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) : |
-9.95 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-5.71 |
Log Po/w (XLOGP3) : |
-3.15 |
Log Po/w (WLOGP) : |
-0.05 |
Log Po/w (MLOGP) : |
-0.62 |
Log Po/w (SILICOS-IT) : |
-0.32 |
Consensus Log Po/w : |
-1.97 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.97 |
Solubility : |
2180.0 mg/ml ; 9.44 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
2.08 |
Solubility : |
27700.0 mg/ml ; 120.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-0.64 |
Solubility : |
53.3 mg/ml ; 0.231 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.55 |