Alternatived Products of [ 19432-68-9 ]
Product Details of [ 19432-68-9 ]
CAS No. : | 19432-68-9 |
MDL No. : | MFCD00041213 |
Formula : |
C7H8O2S
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | KNKIXYMOHMYZJR-UHFFFAOYSA-N |
M.W : |
156.20
|
Pubchem ID : | 88055 |
Synonyms : |
|
Calculated chemistry of [ 19432-68-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.29 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
40.18 |
TPSA : |
54.54 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.18 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.04 |
Log Po/w (XLOGP3) : |
1.51 |
Log Po/w (WLOGP) : |
1.46 |
Log Po/w (MLOGP) : |
0.98 |
Log Po/w (SILICOS-IT) : |
2.66 |
Consensus Log Po/w : |
1.73 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.93 |
Solubility : |
1.83 mg/ml ; 0.0117 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.26 |
Solubility : |
0.852 mg/ml ; 0.00545 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.13 |
Solubility : |
1.15 mg/ml ; 0.00736 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.09 |