Alternatived Products of [ 1950-85-2 ]
Product Details of [ 1950-85-2 ]
CAS No. : | 1950-85-2 |
MDL No. : | MFCD03425630 |
Formula : |
CH3NaO2S2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | JFTZUZWJGUCSTE-UHFFFAOYSA-M |
M.W : |
134.15
|
Pubchem ID : | 23688755 |
Synonyms : |
|
Calculated chemistry of [ 1950-85-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
6 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
22.51 |
TPSA : |
80.6 ?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) : |
-6.52 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
0.84 |
Log Po/w (WLOGP) : |
1.01 |
Log Po/w (MLOGP) : |
-1.24 |
Log Po/w (SILICOS-IT) : |
1.76 |
Consensus Log Po/w : |
0.47 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.2 |
Solubility : |
8.45 mg/ml ; 0.063 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.12 |
Solubility : |
1.03 mg/ml ; 0.00767 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
0.24 |
Solubility : |
233.0 mg/ml ; 1.73 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.68 |